3-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanoic acid

Formula:C21H17N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanoic acid is a drug-like molecule.

MolName	3-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanoic acid
MolecularFormula	C21H17N2O3Cl
Smiles	OC(CCn(cc1/C=C/C(c(cc2)ccc2Cl)=O)nc1-c1ccccc1)=O
InChI	InChI=1S/C21H17ClN2O3/c22-18-9-6-15(7-10-18)19(25)11-8-17-14-24(13-12-20(26)27)23-21(17)16-4-2-1-3-5-16/h1-11,14H,12-13H2,(H,26,27)
InChIK	FUFKMKWIEXTYOO-UHFFFAOYSA-N
TotalMolweight	380.83
Molweight	380.83
MonoisotopicMass	380.09277
CLogP	3.1564
CLogS	-4.871
H Acceptors	5
H Donors	1
TotalSurfaceArea	292.03
Relative PSA	0.19525
PolarSurfaceArea	72.19
Druglikeness	4.0817
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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