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

Formula:C25H17N3OBrCl Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	1-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C25H17N3OBrCl
Smiles	O=C(c(nc1-c2cccc(Br)c2)cc2c1[nH]c1c2cccc1)NCc1cc(Cl)ccc1
InChI	InChI=1S/C25H17BrClN3O/c26-17-7-4-6-16(12-17)23-24-20(19-9-1-2-10-21(19)29-24)13-22(30-23)25(31)28-14-15-5-3-8-18(27)11-15/h1-13,29H,14H2,(H,28,31)
InChIK	QMKBCBWHRJNXBY-UHFFFAOYSA-N
TotalMolweight	490.787
Molweight	490.787
MonoisotopicMass	489.02435
CLogP	6.0073
CLogS	-7.547
H Acceptors	4
H Donors	2
TotalSurfaceArea	327.33
Relative PSA	0.1511
PolarSurfaceArea	57.78
Druglikeness	-0.43591
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	2
StereoCon

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