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

Formula:C20H14N2O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(6E)-6-[(2,4-dichlorophenyl)methylidene]-4,5-dihydrocyclopenta[c]pyrazol-1-yl]benzoic acid is a drug-like molecule.

MolName	3-[(6E)-6-[(2,4-dichlorophenyl)methylidene]-4,5-dihydrocyclopenta[c]pyrazol-1-yl]benzoic acid
MolecularFormula	C20H14N2O2Cl2
Smiles	OC(c1cccc(-n2ncc(CC3)c2/C3=C/c(ccc(Cl)c2)c2Cl)c1)=O
InChI	InChI=1S/C20H14Cl2N2O2/c21-16-7-6-12(18(22)10-16)8-13-4-5-15-11-23-24(19(13)15)17-3-1-2-14(9-17)20(25)26/h1-3,6-11H,4-5H2,(H,25,26)
InChIK	KJAIMCFVIOTBMJ-UHFFFAOYSA-N
TotalMolweight	385.249
Molweight	385.249
MonoisotopicMass	384.043232
CLogP	3.8911
CLogS	-5.044
H Acceptors	4
H Donors	1
TotalSurfaceArea	274.41
Relative PSA	0.16027
PolarSurfaceArea	55.12
Druglikeness	2.825
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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