4-[(2Z)-2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]benzoic acid

Formula:C25H19N2O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[(2Z)-2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.

MolName4-[(2Z)-2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]benzoic acid
MolecularFormulaC25H19N2O3Cl
SmilesOC(c(cc1)ccc1N/N=C\c(c1ccccc1cc1)c1OCc(cc1)ccc1Cl)=O
InChIInChI=1S/C25H19ClN2O3/c26-20-10-5-17(6-11-20)16-31-24-14-9-18-3-1-2-4-22(18)23(24)15-27-28-21-12-7-19(8-13-21)25(29)30/h1-15,28H,16H2,(H,29,30)
InChIKMSWUKLNQDGOVPX-UHFFFAOYSA-N
TotalMolweight430.89
Molweight430.89
MonoisotopicMass430.10842
CLogP7.4745
CLogS-6.845
H Acceptors5
H Donors2
TotalSurfaceArea326.88
Relative PSA0.18083
PolarSurfaceArea70.92
Druglikeness1.604
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.58065
Fragments1
Non HAtoms31
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms3
Symmetricatoms4
AcidicOxygens1
StereoCon

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