2-[(6E)-6-[(4-chlorophenyl)methylidene]-4,5-dihydrocyclopenta[c]pyrazol-1-yl]-4-(3,4-dichlorophenyl)-1,3-thiazole

Formula:C22H14N3Cl3S Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[(6E)-6-[(4-chlorophenyl)methylidene]-4,5-dihydrocyclopenta[c]pyrazol-1-yl]-4-(3,4-dichlorophenyl)-1,3-thiazole is not a drug-like molecule.

MolName	2-[(6E)-6-[(4-chlorophenyl)methylidene]-4,5-dihydrocyclopenta[c]pyrazol-1-yl]-4-(3,4-dichlorophenyl)-1,3-thiazole
MolecularFormula	C22H14N3Cl3S
Smiles	Clc1ccc(/C=C(\CC2)/c3c2cnn3-c2nc(-c(cc3)cc(Cl)c3Cl)cs2)cc1
InChI	InChI=1S/C22H14Cl3N3S/c23-17-6-1-13(2-7-17)9-15-3-4-16-11-26-28(21(15)16)22-27-20(12-29-22)14-5-8-18(24)19(25)10-14/h1-2,5-12H,3-4H2
InChIK	RWUHMAUSLVVRMM-UHFFFAOYSA-N
TotalMolweight	458.799
Molweight	458.799
MonoisotopicMass	456.997398
CLogP	6.4386
CLogS	-6.467
H Acceptors	3
TotalSurfaceArea	320.19
Relative PSA	0.15357
PolarSurfaceArea	58.95
Druglikeness	4.0679
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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