1-(2-chlorophenyl)-N-(3-phenylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C27H22N3OCl Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(2-chlorophenyl)-N-(3-phenylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	1-(2-chlorophenyl)-N-(3-phenylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C27H22N3OCl
Smiles	O=C(c(nc1-c(cccc2)c2Cl)cc2c1[nH]c1c2cccc1)NCCCc1ccccc1
InChI	InChI=1S/C27H22ClN3O/c28-22-14-6-4-13-20(22)25-26-21(19-12-5-7-15-23(19)30-26)17-24(31-25)27(32)29-16-8-11-18-9-2-1-3-10-18/h1-7,9-10,12-15,17,30H,8,11,16H2,(H,29,32)
InChIK	JKFYCOWETFPOMT-UHFFFAOYSA-N
TotalMolweight	439.945
Molweight	439.945
MonoisotopicMass	439.145139
CLogP	6.1666
CLogS	-7.095
H Acceptors	4
H Donors	2
TotalSurfaceArea	336.22
Relative PSA	0.14711
PolarSurfaceArea	57.78
Druglikeness	-0.77357
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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