4-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]benzoic acid

Formula:C16H14N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]benzoic acid is a drug-like molecule.

MolName	4-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]benzoic acid
MolecularFormula	C16H14N2O4
Smiles	OC(c(cc1)ccc1N/N=C\c(cc1)cc2c1OCCO2)=O
InChI	InChI=1S/C16H14N2O4/c19-16(20)12-2-4-13(5-3-12)18-17-10-11-1-6-14-15(9-11)22-8-7-21-14/h1-6,9-10,18H,7-8H2,(H,19,20)
InChIK	LNTBBIDMQSIVJG-UHFFFAOYSA-N
TotalMolweight	298.297
Molweight	298.297
MonoisotopicMass	298.095358
CLogP	4.3048
CLogS	-3.344
H Acceptors	6
H Donors	2
TotalSurfaceArea	227.36
Relative PSA	0.30397
PolarSurfaceArea	80.15
Druglikeness	-5.3463
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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