[(Z)-[amino-(4-nitrophenyl)methylidene]amino] 4-phenoxybutanoate

Formula:C17H17N3O5 Mutagenic:high Tumorigenic:none Reproductive Effective:low [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 4-phenoxybutanoate is a drug-like molecule.

MolName	[(Z)-[amino-(4-nitrophenyl)methylidene]amino] 4-phenoxybutanoate
MolecularFormula	C17H17N3O5
Smiles	N/C(/c(cc1)ccc1[N+]([O-])=O)=N\OC(CCCOc1ccccc1)=O
InChI	InChI=1S/C17H17N3O5/c18-17(13-8-10-14(11-9-13)20(22)23)19-25-16(21)7-4-12-24-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12H2,(H2,18,19)
InChIK	UPQGHVSTBVSHIA-UHFFFAOYSA-N
TotalMolweight	343.338
Molweight	343.338
MonoisotopicMass	343.116822
CLogP	2.6342
CLogS	-4.316
H Acceptors	8
H Donors	1
TotalSurfaceArea	267.21
Relative PSA	0.33771
PolarSurfaceArea	119.73
Druglikeness	-13.798
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.72
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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