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

Formula:C25H18N3OCl Mutagenic:low Tumorigenic:none Reproductive Effective:none N-benzyl-1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	N-benzyl-1-(2-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C25H18N3OCl
Smiles	O=C(c(nc1-c(cccc2)c2Cl)cc2c1[nH]c1c2cccc1)NCc1ccccc1
InChI	InChI=1S/C25H18ClN3O/c26-20-12-6-4-11-18(20)23-24-19(17-10-5-7-13-21(17)28-24)14-22(29-23)25(30)27-15-16-8-2-1-3-9-16/h1-14,28H,15H2,(H,27,30)
InChIK	LOPHMBFBKIYKLW-UHFFFAOYSA-N
TotalMolweight	411.891
Molweight	411.891
MonoisotopicMass	411.113839
CLogP	5.2821
CLogS	-6.713
H Acceptors	4
H Donors	2
TotalSurfaceArea	308.7
Relative PSA	0.16022
PolarSurfaceArea	57.78
Druglikeness	1.3541
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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