[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-naphthalen-1-yloxyacetate

Formula:C20H17N3O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-naphthalen-1-yloxyacetate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-naphthalen-1-yloxyacetate
MolecularFormula	C20H17N3O5
Smiles	N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N/OC(COc1cccc2ccccc12)=O
InChI	InChI=1S/C20H17N3O5/c21-19(12-14-8-10-16(11-9-14)23(25)26)22-28-20(24)13-27-18-7-3-5-15-4-1-2-6-17(15)18/h1-11H,12-13H2,(H2,21,22)
InChIK	VRLSGEDZDKHACO-UHFFFAOYSA-N
TotalMolweight	379.371
Molweight	379.371
MonoisotopicMass	379.116822
CLogP	2.9179
CLogS	-5.347
H Acceptors	8
H Donors	1
TotalSurfaceArea	288.05
Relative PSA	0.31328
PolarSurfaceArea	119.73
Druglikeness	-7.6866
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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