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

Formula:C28H19N7 Mutagenic:high Tumorigenic:low Reproductive Effective:none 3-amino-5-[(Z)-1-cyano-2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]ethenyl]-1H-pyrazole-4-carbonitrile is a drug-like molecule.

MolName	3-amino-5-[(Z)-1-cyano-2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]ethenyl]-1H-pyrazole-4-carbonitrile
MolecularFormula	C28H19N7
Smiles	Nc1n[nH]c(/C(/C#N)=C/c(cc2)ccc2-n(c(-c2ccccc2)c2)nc2-c2ccccc2)c1C#N
InChI	InChI=1S/C28H19N7/c29-17-22(27-24(18-30)28(31)33-32-27)15-19-11-13-23(14-12-19)35-26(21-9-5-2-6-10-21)16-25(34-35)20-7-3-1-4-8-20/h1-16H,(H3,31,32,33)
InChIK	ONXUTFZOWPNKRK-UHFFFAOYSA-N
TotalMolweight	453.508
Molweight	453.508
MonoisotopicMass	453.170193
CLogP	3.4591
CLogS	-6.891
H Acceptors	7
H Donors	2
TotalSurfaceArea	365.24
Relative PSA	0.23324
PolarSurfaceArea	120.1
Druglikeness	-1.2159
Mutagenic	high
Tumorigenic	low
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	28
Symmetricatoms	6
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon

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