(3Z)-2-amino-4-[4-(3,5-diphenylpyrazol-1-yl)phenyl]buta-1,3-diene-1,1,3-tricarbonitrile

Formula:C28H18N6 Mutagenic:high Tumorigenic:low Reproductive Effective:none (3Z)-2-amino-4-[4-(3,5-diphenylpyrazol-1-yl)phenyl]buta-1,3-diene-1,1,3-tricarbonitrile is a drug-like molecule.

MolName	(3Z)-2-amino-4-[4-(3,5-diphenylpyrazol-1-yl)phenyl]buta-1,3-diene-1,1,3-tricarbonitrile
MolecularFormula	C28H18N6
Smiles	NC(/C(/C#N)=C/c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1)=C(C#N)C#N
InChI	InChI=1S/C28H18N6/c29-17-23(28(32)24(18-30)19-31)15-20-11-13-25(14-12-20)34-27(22-9-5-2-6-10-22)16-26(33-34)21-7-3-1-4-8-21/h1-16H,32H2
InChIK	SELQFLHUNLVGOJ-UHFFFAOYSA-N
TotalMolweight	438.493
Molweight	438.493
MonoisotopicMass	438.159294
CLogP	4.4611
CLogS	-6.826
H Acceptors	6
H Donors	1
TotalSurfaceArea	361.78
Relative PSA	0.20396
PolarSurfaceArea	115.21
Druglikeness	-5.6317
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; 1,1-dinitrile
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Symmetricatoms	8
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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