5-amino-3-[(Z)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile

Formula:C28H19N6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-3-[(Z)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
MolecularFormula	C28H19N6Cl
Smiles	Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c2cn(Cc(cccc3)c3Cl)c3c2cccc3)c1C#N
InChI	InChI=1S/C28H19ClN6/c29-25-12-6-4-8-19(25)17-34-18-21(23-11-5-7-13-26(23)34)14-20(15-30)27-24(16-31)28(32)35(33-27)22-9-2-1-3-10-22/h1-14,18H,17,32H2
InChIK	IBZSYKHPBRNWNE-UHFFFAOYSA-N
TotalMolweight	474.954
Molweight	474.954
MonoisotopicMass	474.135971
CLogP	4.2008
CLogS	-6.476
H Acceptors	6
H Donors	1
TotalSurfaceArea	370.13
Relative PSA	0.18129
PolarSurfaceArea	96.35
Druglikeness	0.022823
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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