(Z)-3-[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]-2-(2,4-dichlorophenyl)prop-2-enenitrile

Formula:C30H25N3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (Z)-3-[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]-2-(2,4-dichlorophenyl)prop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-3-[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]-2-(2,4-dichlorophenyl)prop-2-enenitrile
MolecularFormula	C30H25N3Cl2
Smiles	N#C/C(/c(ccc(Cl)c1)c1Cl)=C\c1cn(-c2ccccc2)nc1-c1ccc(C2CCCCC2)cc1
InChI	InChI=1S/C30H25Cl2N3/c31-26-15-16-28(29(32)18-26)24(19-33)17-25-20-35(27-9-5-2-6-10-27)34-30(25)23-13-11-22(12-14-23)21-7-3-1-4-8-21/h2,5-6,9-18,20-21H,1,3-4,7-8H2
InChIK	FYXYLIYWQXEVPX-UHFFFAOYSA-N
TotalMolweight	498.456
Molweight	498.456
MonoisotopicMass	497.142551
CLogP	7.6004
CLogS	-8.381
H Acceptors	3
TotalSurfaceArea	385.56
Relative PSA	0.08144
PolarSurfaceArea	41.61
Druglikeness	-6.5922
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	6
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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