5-amino-3-[(Z)-1-cyano-2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile

Formula:C34H23N7 Mutagenic:high Tumorigenic:low Reproductive Effective:none 5-amino-3-[(Z)-1-cyano-2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile is not a drug-like molecule.

MolName	5-amino-3-[(Z)-1-cyano-2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile
MolecularFormula	C34H23N7
Smiles	Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c(cc2)ccc2-n(c(-c2ccccc2)c2)nc2-c2ccccc2)c1C#N
InChI	InChI=1S/C34H23N7/c35-22-27(33-30(23-36)34(37)41(39-33)28-14-8-3-9-15-28)20-24-16-18-29(19-17-24)40-32(26-12-6-2-7-13-26)21-31(38-40)25-10-4-1-5-11-25/h1-21H,37H2
InChIK	WGDVITGBFDBHMZ-UHFFFAOYSA-N
TotalMolweight	529.606
Molweight	529.606
MonoisotopicMass	529.201493
CLogP	4.7343
CLogS	-8.053
H Acceptors	7
H Donors	1
TotalSurfaceArea	424.63
Relative PSA	0.18385
PolarSurfaceArea	109.24
Druglikeness	-1.1055
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.4878
Fragments	1
Non HAtoms	41
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	34
Sp3Atoms	1
Symmetricatoms	8
Aromatic Nitrogens	4
StereoCon

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