3-(2,4-difluorophenyl)-6-[1-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-(2,4-difluorophenyl)-6-[2-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-[3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazine;molecular hydrogen

C123H88F32N8O8 — CID 159580374

IUPAC3-(2,4-difluorophenyl)-6-[1-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-(2,4-difluorophenyl)-6-[2-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-[3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazine;molecular hydrogen
SMILESCC(c1ccc2c(c1)CN(c1ccc(F)cc1F)CO2)c1ccc2c(c1)CN(c1ccc(F)cc1F)CO2.FC(F)(F)C(c1ccc2c(c1)CN(c1ccccc1)CO2)(c1ccc2c(c1)CN(c1ccccc1)CO2)C(F)(F)F.Fc1cc(F)c(N2COc3ccc(C(c4ccc5c(c4)CN(c4c(F)cc(F)cc4F)CO5)(C(F)(F)F)C(F)(F)F)cc3C2)c(F)c1.Fc1ccc(N2COc3ccc(C(c4ccc5c(c4)CN(c4ccc(F)cc4F)CO5)(C(F)(F)F)C(F)(F)F)cc3C2)c(F)c1.[H][H]
InChIInChI=1S/C31H18F12N2O2.C31H20F10N2O2.C31H24F6N2O2.C30H24F4N2O2.H2/c32-19-7-21(34)27(22(35)8-19)44-11-15-5-17(1-3-25(15)46-13-44)29(30(38,39)40,31(41,42)43)18-2-4-26-16(6-18)12-45(14-47-26)28-23(36)9-20(33)10-24(28)37;32-21-3-5-25(23(34)11-21)42-13-17-9-19(1-7-27(17)44-15-42)29(30(36,37)38,31(39,40)41)20-2-8-28-18(10-20)14-43(16-45-28)26-6-4-22(33)12-24(26)35;32-30(33,34)29(31(35,36)37,23-11-13-27-21(15-23)17-38(19-40-27)25-7-3-1-4-8-25)24-12-14-28-22(16-24)18-39(20-41-28)26-9-5-2-6-10-26;1-18(19-2-8-29-21(10-19)14-35(16-37-29)27-6-4-23(31)12-25(27)33)20-3-9-30-22(11-20)15-36(17-38-30)28-7-5-24(32)13-26(28)34;/h1-10H,11-14H2;1-12H,13-16H2;1-16H,17-20H2;2-13,18H,14-17H2,1H3;1H
InChIKeyMIYBWQDVLHYDPC-UHFFFAOYSA-N
MW2414.04 g/mol
LogP32.18
Rot. Bonds16

About 3-(2,4-difluorophenyl)-6-[1-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-(2,4-difluorophenyl)-6-[2-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-[3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazine;molecular hydrogen

3-(2,4-difluorophenyl)-6-[1-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-(2,4-difluorophenyl)-6-[2-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-[3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazine;molecular hydrogen (PubChem CID 159580374) has the molecular formula C123H88F32N8O8 and a molecular weight of 2414.04 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-6-[1-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-(2,4-difluorophenyl)-6-[2-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-[3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazine;molecular hydrogen.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-6-[1-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-(2,4-difluorophenyl)-6-[2-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-[3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazine;molecular hydrogen
PubChem CID159580374
Molecular FormulaC123H88F32N8O8
Molecular Weight2414.04 g/mol
Exact Mass2412.62
IUPAC Name3-(2,4-difluorophenyl)-6-[1-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-(2,4-difluorophenyl)-6-[2-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-[3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazine;molecular hydrogen
SMILESCC(c1ccc2c(c1)CN(c1ccc(F)cc1F)CO2)c1ccc2c(c1)CN(c1ccc(F)cc1F)CO2.FC(F)(F)C(c1ccc2c(c1)CN(c1ccccc1)CO2)(c1ccc2c(c1)CN(c1ccccc1)CO2)C(F)(F)F.Fc1cc(F)c(N2COc3ccc(C(c4ccc5c(c4)CN(c4c(F)cc(F)cc4F)CO5)(C(F)(F)F)C(F)(F)F)cc3C2)c(F)c1.Fc1ccc(N2COc3ccc(C(c4ccc5c(c4)CN(c4ccc(F)cc4F)CO5)(C(F)(F)F)C(F)(F)F)cc3C2)c(F)c1.[H][H]
InChIInChI=1S/C31H18F12N2O2.C31H20F10N2O2.C31H24F6N2O2.C30H24F4N2O2.H2/c32-19-7-21(34)27(22(35)8-19)44-11-15-5-17(1-3-25(15)46-13-44)29(30(38,39)40,31(41,42)43)18-2-4-26-16(6-18)12-45(14-47-26)28-23(36)9-20(33)10-24(28)37;32-21-3-5-25(23(34)11-21)42-13-17-9-19(1-7-27(17)44-15-42)29(30(36,37)38,31(39,40)41)20-2-8-28-18(10-20)14-43(16-45-28)26-6-4-22(33)12-24(26)35;32-30(33,34)29(31(35,36)37,23-11-13-27-21(15-23)17-38(19-40-27)25-7-3-1-4-8-25)24-12-14-28-22(16-24)18-39(20-41-28)26-9-5-2-6-10-26;1-18(19-2-8-29-21(10-19)14-35(16-37-29)27-6-4-23(31)12-25(27)33)20-3-9-30-22(11-20)15-36(17-38-30)28-7-5-24(32)13-26(28)34;/h1-10H,11-14H2;1-12H,13-16H2;1-16H,17-20H2;2-13,18H,14-17H2,1H3;1H
InChIKeyMIYBWQDVLHYDPC-UHFFFAOYSA-N
XLogP32.18
TPSA99.76 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms171
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002414.04
LogP ≤ 532.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3-(2,4-difluorophenyl)-6-[1-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-(2,4-difluorophenyl)-6-[2-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-[3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazine;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-6-[1-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-(2,4-difluorophenyl)-6-[2-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-[3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazine;molecular hydrogen?
The IUPAC name of 3-(2,4-difluorophenyl)-6-[1-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-(2,4-difluorophenyl)-6-[2-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-[3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazine;molecular hydrogen (CID 159580374) is 3-(2,4-difluorophenyl)-6-[1-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-(2,4-difluorophenyl)-6-[2-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-[3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazine;molecular hydrogen.
What is the SMILES notation for 3-(2,4-difluorophenyl)-6-[1-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-(2,4-difluorophenyl)-6-[2-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-[3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazine;molecular hydrogen?
The canonical SMILES for 3-(2,4-difluorophenyl)-6-[1-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-(2,4-difluorophenyl)-6-[2-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-[3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazine;molecular hydrogen is CC(c1ccc2c(c1)CN(c1ccc(F)cc1F)CO2)c1ccc2c(c1)CN(c1ccc(F)cc1F)CO2.FC(F)(F)C(c1ccc2c(c1)CN(c1ccccc1)CO2)(c1ccc2c(c1)CN(c1ccccc1)CO2)C(F)(F)F.Fc1cc(F)c(N2COc3ccc(C(c4ccc5c(c4)CN(c4c(F)cc(F)cc4F)CO5)(C(F)(F)F)C(F)(F)F)cc3C2)c(F)c1.Fc1ccc(N2COc3ccc(C(c4ccc5c(c4)CN(c4ccc(F)cc4F)CO5)(C(F)(F)F)C(F)(F)F)cc3C2)c(F)c1.[H][H].
What is the InChIKey of 3-(2,4-difluorophenyl)-6-[1-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-(2,4-difluorophenyl)-6-[2-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-[3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazine;molecular hydrogen?
The InChIKey is MIYBWQDVLHYDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18F12N2O2.C31H20F10N2O2.C31H24F6N2O2.C30H24F4N2O2.H2/c32-19-7-21(34)27(22(35)8-19)44-11-15-5-17(1-3-25(15)46-13-44)29(30(38,39)40,31(41,42)43)18-2-4-26-16(6-18)12-45(14-47-26)28-23(36)9-20(33)10-24(28)37;32-21-3-5-25(23(34)11-21)42-13-17-9-19(1-7-27(17)44-15-42)29(30(36,37)38,31(39,40)41)20-2-8-28-18(10-20)14-43(16-45-28)26-6-4-22(33)12-24(26)35;32-30(33,34)29(31(35,36)37,23-11-13-27-21(15-23)17-38(19-40-27)25-7-3-1-4-8-25)24-12-14-28-22(16-24)18-39(20-41-28)26-9-5-2-6-10-26;1-18(19-2-8-29-21(10-19)14-35(16-37-29)27-6-4-23(31)12-25(27)33)20-3-9-30-22(11-20)15-36(17-38-30)28-7-5-24(32)13-26(28)34;/h1-10H,11-14H2;1-12H,13-16H2;1-16H,17-20H2;2-13,18H,14-17H2,1H3;1H.
What are the key properties of 3-(2,4-difluorophenyl)-6-[1-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-(2,4-difluorophenyl)-6-[2-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-[3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazine;molecular hydrogen?
3-(2,4-difluorophenyl)-6-[1-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-(2,4-difluorophenyl)-6-[2-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-[3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazine;molecular hydrogen has a molecular weight of 2414.04 g/mol, XLogP of 32.18, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-6-[1-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-(2,4-difluorophenyl)-6-[2-[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-3-phenyl-2,4-dihydro-1,3-benzoxazine;6-[1,1,1,3,3,3-hexafluoro-2-[3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-3-(2,4,6-trifluorophenyl)-2,4-dihydro-1,3-benzoxazine;molecular hydrogen is sourced from PubChem (CID 159580374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).