1-(3-bromophenyl)-N-cyclohexyl-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C24H22N3OBr Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(3-bromophenyl)-N-cyclohexyl-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	1-(3-bromophenyl)-N-cyclohexyl-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C24H22N3OBr
Smiles	O=C(c(nc1-c2cccc(Br)c2)cc2c1[nH]c1c2cccc1)NC1CCCCC1
InChI	InChI=1S/C24H22BrN3O/c25-16-8-6-7-15(13-16)22-23-19(18-11-4-5-12-20(18)27-23)14-21(28-22)24(29)26-17-9-2-1-3-10-17/h4-8,11-14,17,27H,1-3,9-10H2,(H,26,29)
InChIK	LFLFKJVYAQNTAI-UHFFFAOYSA-N
TotalMolweight	448.363
Molweight	448.363
MonoisotopicMass	447.094623
CLogP	5.5389
CLogS	-7.062
H Acceptors	4
H Donors	2
TotalSurfaceArea	306.19
Relative PSA	0.16153
PolarSurfaceArea	57.78
Druglikeness	-4.7126
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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