3-[3-(4-methoxyphenyl)-4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]pyrazol-1-yl]propanoic acid

Formula:C24H22N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[3-(4-methoxyphenyl)-4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]pyrazol-1-yl]propanoic acid is a drug-like molecule.

MolName	3-[3-(4-methoxyphenyl)-4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]pyrazol-1-yl]propanoic acid
MolecularFormula	C24H22N4O4
Smiles	CC(C(C1=O)=Cc2cn(CCC(O)=O)nc2-c(cc2)ccc2OC)=NN1c1ccccc1
InChI	InChI=1S/C24H22N4O4/c1-16-21(24(31)28(25-16)19-6-4-3-5-7-19)14-18-15-27(13-12-22(29)30)26-23(18)17-8-10-20(32-2)11-9-17/h3-11,14-15H,12-13H2,1-2H3,(H,29,30)
InChIK	IPZPKBKRCFLRIN-UHFFFAOYSA-N
TotalMolweight	430.463
Molweight	430.463
MonoisotopicMass	430.164106
CLogP	2.7404
CLogS	-3.75
H Acceptors	8
H Donors	1
TotalSurfaceArea	329.11
Relative PSA	0.2494
PolarSurfaceArea	97.02
Druglikeness	5.4261
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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