2-[2-[(Z)-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid

Formula:C19H15N4O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(Z)-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-[(Z)-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid
MolecularFormula	C19H15N4O4Cl
Smiles	OC(COc1c(/C=N\NC(c2cc(-c(cc3)ccc3Cl)n[nH]2)=O)cccc1)=O
InChI	InChI=1S/C19H15ClN4O4/c20-14-7-5-12(6-8-14)15-9-16(23-22-15)19(27)24-21-10-13-3-1-2-4-17(13)28-11-18(25)26/h1-10H,11H2,(H,22,23)(H,24,27)(H,25,26)
InChIK	ZHJFXEIOUCJNPD-UHFFFAOYSA-N
TotalMolweight	398.805
Molweight	398.805
MonoisotopicMass	398.078183
CLogP	2.5654
CLogS	-4.625
H Acceptors	8
H Donors	3
TotalSurfaceArea	298.36
Relative PSA	0.32548
PolarSurfaceArea	116.67
Druglikeness	5.5966
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
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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