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

Formula:C27H22N3OBr Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(3-bromophenyl)-N-(3-phenylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	1-(3-bromophenyl)-N-(3-phenylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C27H22N3OBr
Smiles	O=C(c(nc1-c2cccc(Br)c2)cc2c1[nH]c1c2cccc1)NCCCc1ccccc1
InChI	InChI=1S/C27H22BrN3O/c28-20-12-6-11-19(16-20)25-26-22(21-13-4-5-14-23(21)30-26)17-24(31-25)27(32)29-15-7-10-18-8-2-1-3-9-18/h1-6,8-9,11-14,16-17,30H,7,10,15H2,(H,29,32)
InChIK	HJCLPNJBJMIBSU-UHFFFAOYSA-N
TotalMolweight	484.396
Molweight	484.396
MonoisotopicMass	483.094623
CLogP	6.2858
CLogS	-7.193
H Acceptors	4
H Donors	2
TotalSurfaceArea	339.43
Relative PSA	0.14571
PolarSurfaceArea	57.78
Druglikeness	-2.6289
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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