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

Formula:C21H16N2O3F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[3-(4-fluorophenyl)-4-[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]pyrazol-1-yl]propanoic acid is a drug-like molecule.

MolName	3-[3-(4-fluorophenyl)-4-[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]pyrazol-1-yl]propanoic acid
MolecularFormula	C21H16N2O3F2
Smiles	OC(CCn(cc1/C=C\C(c(cc2)ccc2F)=O)nc1-c(cc1)ccc1F)=O
InChI	InChI=1S/C21H16F2N2O3/c22-17-6-1-14(2-7-17)19(26)10-5-16-13-25(12-11-20(27)28)24-21(16)15-3-8-18(23)9-4-15/h1-10,13H,11-12H2,(H,27,28)
InChIK	ORHGBHGBWRLGNP-UHFFFAOYSA-N
TotalMolweight	382.365
Molweight	382.365
MonoisotopicMass	382.112899
CLogP	2.752
CLogS	-4.763
H Acceptors	5
H Donors	1
TotalSurfaceArea	289.31
Relative PSA	0.19709
PolarSurfaceArea	72.19
Druglikeness	2.6848
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	4
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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