3-[(2Z)-2-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]benzoic acid

Formula:C26H18N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-[(2Z)-2-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]benzoic acid is a drug-like molecule.

MolName	3-[(2Z)-2-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]benzoic acid
MolecularFormula	C26H18N4O4
Smiles	OC(c1cccc(N/N=C\c2cn(-c3ccccc3)nc2C2=Cc(cccc3)c3OC2=O)c1)=O
InChI	InChI=1S/C26H18N4O4/c31-25(32)18-8-6-9-20(13-18)28-27-15-19-16-30(21-10-2-1-3-11-21)29-24(19)22-14-17-7-4-5-12-23(17)34-26(22)33/h1-16,28H,(H,31,32)
InChIK	BODZQESEKUAPJO-UHFFFAOYSA-N
TotalMolweight	450.453
Molweight	450.453
MonoisotopicMass	450.132806
CLogP	4.6418
CLogS	-4.632
H Acceptors	8
H Donors	2
TotalSurfaceArea	339.78
Relative PSA	0.26485
PolarSurfaceArea	105.81
Druglikeness	4.0571
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.47059
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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