3-[3-(3-chlorophenyl)-4-[(Z)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]pyrazol-1-yl]propanoic acid

Formula:C21H16N2O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[3-(3-chlorophenyl)-4-[(Z)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]pyrazol-1-yl]propanoic acid is a drug-like molecule.

MolName	3-[3-(3-chlorophenyl)-4-[(Z)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]pyrazol-1-yl]propanoic acid
MolecularFormula	C21H16N2O3Cl2
Smiles	OC(CCn(cc1/C=C\C(c(cc2)ccc2Cl)=O)nc1-c1cccc(Cl)c1)=O
InChI	InChI=1S/C21H16Cl2N2O3/c22-17-7-4-14(5-8-17)19(26)9-6-16-13-25(11-10-20(27)28)24-21(16)15-2-1-3-18(23)12-15/h1-9,12-13H,10-11H2,(H,27,28)
InChIK	AIFCQSUPWZIICQ-UHFFFAOYSA-N
TotalMolweight	415.275
Molweight	415.275
MonoisotopicMass	414.053797
CLogP	3.7624
CLogS	-5.607
H Acceptors	5
H Donors	1
TotalSurfaceArea	307.45
Relative PSA	0.18546
PolarSurfaceArea	72.19
Druglikeness	4.0817
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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