azepan-3-ol;3,7-dichloro-10H-phenoxazine

C18H20Cl2N2O2 — CID 144987793

IUPACazepan-3-ol;3,7-dichloro-10H-phenoxazine
SMILESClc1ccc2c(c1)Oc1cc(Cl)ccc1N2.OC1CCCCNC1
InChIInChI=1S/C12H7Cl2NO.C6H13NO/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;8-6-3-1-2-4-7-5-6/h1-6,15H;6-8H,1-5H2
InChIKeyPXYPVGUECMUJFL-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.96
Rot. Bonds

About azepan-3-ol;3,7-dichloro-10H-phenoxazine

azepan-3-ol;3,7-dichloro-10H-phenoxazine (PubChem CID 144987793) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is azepan-3-ol;3,7-dichloro-10H-phenoxazine.

Molecular Properties

Compound Nameazepan-3-ol;3,7-dichloro-10H-phenoxazine
PubChem CID144987793
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Nameazepan-3-ol;3,7-dichloro-10H-phenoxazine
SMILESClc1ccc2c(c1)Oc1cc(Cl)ccc1N2.OC1CCCCNC1
InChIInChI=1S/C12H7Cl2NO.C6H13NO/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;8-6-3-1-2-4-7-5-6/h1-6,15H;6-8H,1-5H2
InChIKeyPXYPVGUECMUJFL-UHFFFAOYSA-N
XLogP4.96
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,7-dichloro-10H-phenoxazine
CID 139887196
3-chloro-7-methyl-10H-phenoxazine;oxane-3,4-diol
CID 145273654
3,4-difluoroaniline;piperidin-3-ol
CID 158309036
1-(7-chloro-10H-phenoxazin-2-yl)ethanone
CID 170632598
pyrrolidine;(3S)-pyrrolidin-3-ol
CID 67190741
N-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 69171921
7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol
CID 10058548
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
8-chloro-4,5-dihydro-3H-1,5-benzoxazepin-2-one
CID 84667919
piperidin-3-ol;propane-2,2-diol
CID 142962358
oxalic acid;piperidin-3-ol
CID 162306197
5-chloro-2-piperidin-3-yl-1,3-benzoxazole
CID 43114866

Frequently Asked Questions

What is the IUPAC name of azepan-3-ol;3,7-dichloro-10H-phenoxazine?
The IUPAC name of azepan-3-ol;3,7-dichloro-10H-phenoxazine (CID 144987793) is azepan-3-ol;3,7-dichloro-10H-phenoxazine.
What is the SMILES notation for azepan-3-ol;3,7-dichloro-10H-phenoxazine?
The canonical SMILES for azepan-3-ol;3,7-dichloro-10H-phenoxazine is Clc1ccc2c(c1)Oc1cc(Cl)ccc1N2.OC1CCCCNC1.
What is the InChIKey of azepan-3-ol;3,7-dichloro-10H-phenoxazine?
The InChIKey is PXYPVGUECMUJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO.C6H13NO/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;8-6-3-1-2-4-7-5-6/h1-6,15H;6-8H,1-5H2.
What are the key properties of azepan-3-ol;3,7-dichloro-10H-phenoxazine?
azepan-3-ol;3,7-dichloro-10H-phenoxazine has a molecular weight of 367.28 g/mol, XLogP of 4.96, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-3-ol;3,7-dichloro-10H-phenoxazine is sourced from PubChem (CID 144987793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).