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

Formula:C26H19N3OClF Mutagenic:low Tumorigenic:none Reproductive Effective:none N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C26H19N3OClF
Smiles	O=C(c1nc(-c(cc2)ccc2F)c2[nH]c(cccc3)c3c2c1)NCCc(cc1)ccc1Cl
InChI	InChI=1S/C26H19ClFN3O/c27-18-9-5-16(6-10-18)13-14-29-26(32)23-15-21-20-3-1-2-4-22(20)30-25(21)24(31-23)17-7-11-19(28)12-8-17/h1-12,15,30H,13-14H2,(H,29,32)
InChIK	HWKVFFGRFOYBHO-UHFFFAOYSA-N
TotalMolweight	443.908
Molweight	443.908
MonoisotopicMass	443.120067
CLogP	5.813
CLogS	-7.139
H Acceptors	4
H Donors	2
TotalSurfaceArea	328.81
Relative PSA	0.15042
PolarSurfaceArea	57.78
Druglikeness	0.12459
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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