4-[(2Z)-2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]benzoic acid

Formula:C25H20N2O3 Mutagenic:low Tumorigenic:high Reproductive Effective:none 4-[(2Z)-2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.

MolName	4-[(2Z)-2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]benzoic acid
MolecularFormula	C25H20N2O3
Smiles	OC(c(cc1)ccc1N/N=C\c1cc(OCc2cccc3ccccc23)ccc1)=O
InChI	InChI=1S/C25H20N2O3/c28-25(29)20-11-13-22(14-12-20)27-26-16-18-5-3-9-23(15-18)30-17-21-8-4-7-19-6-1-2-10-24(19)21/h1-16,27H,17H2,(H,28,29)
InChIK	NBUFBNMUFSNSDU-UHFFFAOYSA-N
TotalMolweight	396.445
Molweight	396.445
MonoisotopicMass	396.147393
CLogP	6.8685
CLogS	-6.109
H Acceptors	5
H Donors	2
TotalSurfaceArea	311.46
Relative PSA	0.18978
PolarSurfaceArea	70.92
Druglikeness	1.5337
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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