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

Formula:C25H18N3OBr Mutagenic:low Tumorigenic:none Reproductive Effective:none N-benzyl-1-(3-bromophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	N-benzyl-1-(3-bromophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C25H18N3OBr
Smiles	O=C(c(nc1-c2cccc(Br)c2)cc2c1[nH]c1c2cccc1)NCc1ccccc1
InChI	InChI=1S/C25H18BrN3O/c26-18-10-6-9-17(13-18)23-24-20(19-11-4-5-12-21(19)28-24)14-22(29-23)25(30)27-15-16-7-2-1-3-8-16/h1-14,28H,15H2,(H,27,30)
InChIK	PMHAITLXVMEWEC-UHFFFAOYSA-N
TotalMolweight	456.342
Molweight	456.342
MonoisotopicMass	455.063323
CLogP	5.4013
CLogS	-6.811
H Acceptors	4
H Donors	2
TotalSurfaceArea	311.91
Relative PSA	0.15857
PolarSurfaceArea	57.78
Druglikeness	-0.495
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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