[4-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate

Formula:C27H20N3O4I Mutagenic:none Tumorigenic:high Reproductive Effective:none [4-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
MolecularFormula	C27H20N3O4I
Smiles	O=C(CNC(c1cccc2ccccc12)=O)N/N=C\c(cc1)ccc1OC(c(cccc1)c1I)=O
InChI	InChI=1S/C27H20IN3O4/c28-24-11-4-3-9-23(24)27(34)35-20-14-12-18(13-15-20)16-30-31-25(32)17-29-26(33)22-10-5-7-19-6-1-2-8-21(19)22/h1-16H,17H2,(H,29,33)(H,31,32)
InChIK	PAOJDCZHVNNCFT-UHFFFAOYSA-N
TotalMolweight	577.373
Molweight	577.373
MonoisotopicMass	577.049855
CLogP	5.3473
CLogS	-7.58
H Acceptors	7
H Donors	2
TotalSurfaceArea	378.35
Relative PSA	0.22083
PolarSurfaceArea	96.86
Druglikeness	5.4723
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.62857
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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