[(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 4-phenoxybutanoate

Formula:C18H19N3O5 Mutagenic:high Tumorigenic:none Reproductive Effective:low [(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 4-phenoxybutanoate is a drug-like molecule.

MolName	[(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 4-phenoxybutanoate
MolecularFormula	C18H19N3O5
Smiles	N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N\OC(CCCOc1ccccc1)=O
InChI	InChI=1S/C18H19N3O5/c19-17(13-14-8-10-15(11-9-14)21(23)24)20-26-18(22)7-4-12-25-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-13H2,(H2,19,20)
InChIK	RORLZVCLOFBVIC-UHFFFAOYSA-N
TotalMolweight	357.365
Molweight	357.365
MonoisotopicMass	357.132472
CLogP	2.6323
CLogS	-4.281
H Acceptors	8
H Donors	1
TotalSurfaceArea	280.97
Relative PSA	0.32117
PolarSurfaceArea	119.73
Druglikeness	-13.781
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.73077
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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