(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enenitrile

Formula:C33H21N4ClS Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enenitrile
MolecularFormula	C33H21N4ClS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChI	InChI=1S/C33H21ClN4S/c34-28-15-13-25(14-16-28)31-22-39-33(36-31)27(21-35)19-23-11-17-29(18-12-23)38-32(26-9-5-2-6-10-26)20-30(37-38)24-7-3-1-4-8-24/h1-20,22H
InChIK	YGFBPAIAFNPYOL-UHFFFAOYSA-N
TotalMolweight	541.077
Molweight	541.077
MonoisotopicMass	540.117543
CLogP	7.1881
CLogS	-8.464
H Acceptors	4
TotalSurfaceArea	416.56
Relative PSA	0.15059
PolarSurfaceArea	82.74
Druglikeness	0.32009
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	39
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	34
Symmetricatoms	8
Aromatic Nitrogens	3
StereoCon

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