(6E)-6-benzylidene-1-(3-chlorophenyl)-4,5-dihydrocyclopenta[c]pyrazole

Formula:C19H15N2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (6E)-6-benzylidene-1-(3-chlorophenyl)-4,5-dihydrocyclopenta[c]pyrazole is a drug-like molecule.

MolName	(6E)-6-benzylidene-1-(3-chlorophenyl)-4,5-dihydrocyclopenta[c]pyrazole
MolecularFormula	C19H15N2Cl
Smiles	Clc1cc(-n2ncc(CC3)c2/C3=C/c2ccccc2)ccc1
InChI	InChI=1S/C19H15ClN2/c20-17-7-4-8-18(12-17)22-19-15(9-10-16(19)13-21-22)11-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2
InChIK	WTXWTSOVDINDGB-UHFFFAOYSA-N
TotalMolweight	306.795
Molweight	306.795
MonoisotopicMass	306.092375
CLogP	3.8
CLogS	-4.295
H Acceptors	2
TotalSurfaceArea	234.89
Relative PSA	0.07595
PolarSurfaceArea	17.82
Druglikeness	3.0612
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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