1-[(Z)-azepan-2-ylidene(nitro)methyl]-11-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]indol-2-ol

Formula:C20H24N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(Z)-azepan-2-ylidene(nitro)methyl]-11-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]indol-2-ol is a drug-like molecule.

MolName	1-[(Z)-azepan-2-ylidene(nitro)methyl]-11-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]indol-2-ol
MolecularFormula	C20H24N4O5
Smiles	[O-][N+](/C(/c1c2c([N+]([O-])=O)c(CCCCC3)n3c2ccc1O)=C1\NCCCCC1)=O
InChI	InChI=1S/C20H24N4O5/c25-16-10-9-14-17(20(24(28)29)15-8-4-2-6-12-22(14)15)18(16)19(23(26)27)13-7-3-1-5-11-21-13/h9-10,21,25H,1-8,11-12H2
InChIK	XWEDBAXHJZJSGV-UHFFFAOYSA-N
TotalMolweight	400.434
Molweight	400.434
MonoisotopicMass	400.174671
CLogP	2.6164
CLogS	-4.573
H Acceptors	9
H Donors	2
TotalSurfaceArea	295.73
Relative PSA	0.31201
PolarSurfaceArea	128.83
Druglikeness	-7.4226
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.41379
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	13
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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1 - 1-[(Z)-azepan-2-ylidene(nitro)methyl]-11-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]indol-2-ol | 2 - 1-[(Z)-azepan-2-ylidene(nitro)methyl]-11-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]indol-2-ol

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