(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-cyclohexylprop-2-enamide

Formula:C25H23N4OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-cyclohexylprop-2-enamide is a drug-like molecule.

MolName	(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-cyclohexylprop-2-enamide
MolecularFormula	C25H23N4OCl
Smiles	N#C/C(/C(NC1CCCCC1)=O)=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl
InChI	InChI=1S/C25H23ClN4O/c26-21-13-11-18(12-14-21)24-20(17-30(29-24)23-9-5-2-6-10-23)15-19(16-27)25(31)28-22-7-3-1-4-8-22/h2,5-6,9-15,17,22H,1,3-4,7-8H2,(H,28,31)
InChIK	PAHAJTOCINJBQJ-UHFFFAOYSA-N
TotalMolweight	430.938
Molweight	430.938
MonoisotopicMass	430.156038
CLogP	4.3603
CLogS	-6.086
H Acceptors	5
H Donors	1
TotalSurfaceArea	339.59
Relative PSA	0.16461
PolarSurfaceArea	70.71
Druglikeness	-3.7756
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon

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