1,9-dichloro-8-oxido-14H-chromeno[2,3-c]phenoxazin-14-ol

C19H10Cl2NO4- — CID 163426984

IUPAC1,9-dichloro-8-oxido-14H-chromeno[2,3-c]phenoxazin-14-ol
SMILES[O-]N1c2ccc3c(c2Oc2cccc(Cl)c21)C(O)c1c(Cl)cccc1O3
InChIInChI=1S/C19H10Cl2NO4/c20-9-3-1-5-12-15(9)18(23)16-13(25-12)8-7-11-19(16)26-14-6-2-4-10(21)17(14)22(11)24/h1-8,18,23H/q-1
InChIKeyZVKMFIZSUKCLLL-UHFFFAOYSA-N
MW387.20 g/mol
LogP5.92
Rot. Bonds

About 1,9-dichloro-8-oxido-14H-chromeno[2,3-c]phenoxazin-14-ol

1,9-dichloro-8-oxido-14H-chromeno[2,3-c]phenoxazin-14-ol (PubChem CID 163426984) has the molecular formula C19H10Cl2NO4- and a molecular weight of 387.20 g/mol. Its IUPAC name is 1,9-dichloro-8-oxido-14H-chromeno[2,3-c]phenoxazin-14-ol.

Molecular Properties

Compound Name1,9-dichloro-8-oxido-14H-chromeno[2,3-c]phenoxazin-14-ol
PubChem CID163426984
Molecular FormulaC19H10Cl2NO4-
Molecular Weight387.20 g/mol
Exact Mass386.00
IUPAC Name1,9-dichloro-8-oxido-14H-chromeno[2,3-c]phenoxazin-14-ol
SMILES[O-]N1c2ccc3c(c2Oc2cccc(Cl)c21)C(O)c1c(Cl)cccc1O3
InChIInChI=1S/C19H10Cl2NO4/c20-9-3-1-5-12-15(9)18(23)16-13(25-12)8-7-11-19(16)26-14-6-2-4-10(21)17(14)22(11)24/h1-8,18,23H/q-1
InChIKeyZVKMFIZSUKCLLL-UHFFFAOYSA-N
XLogP5.92
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.20
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,9-dichloro-8-oxido-14H-chromeno[2,3-c]phenoxazin-14-ol?
The IUPAC name of 1,9-dichloro-8-oxido-14H-chromeno[2,3-c]phenoxazin-14-ol (CID 163426984) is 1,9-dichloro-8-oxido-14H-chromeno[2,3-c]phenoxazin-14-ol.
What is the SMILES notation for 1,9-dichloro-8-oxido-14H-chromeno[2,3-c]phenoxazin-14-ol?
The canonical SMILES for 1,9-dichloro-8-oxido-14H-chromeno[2,3-c]phenoxazin-14-ol is [O-]N1c2ccc3c(c2Oc2cccc(Cl)c21)C(O)c1c(Cl)cccc1O3.
What is the InChIKey of 1,9-dichloro-8-oxido-14H-chromeno[2,3-c]phenoxazin-14-ol?
The InChIKey is ZVKMFIZSUKCLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2NO4/c20-9-3-1-5-12-15(9)18(23)16-13(25-12)8-7-11-19(16)26-14-6-2-4-10(21)17(14)22(11)24/h1-8,18,23H/q-1.
What are the key properties of 1,9-dichloro-8-oxido-14H-chromeno[2,3-c]phenoxazin-14-ol?
1,9-dichloro-8-oxido-14H-chromeno[2,3-c]phenoxazin-14-ol has a molecular weight of 387.20 g/mol, XLogP of 5.92, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dichloro-8-oxido-14H-chromeno[2,3-c]phenoxazin-14-ol is sourced from PubChem (CID 163426984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).