[(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-(2,4-dichlorophenoxy)butanoate

Formula:C17H15N3O5Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high [(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-(2,4-dichlorophenoxy)butanoate is a drug-like molecule.

MolName	[(E)-[amino-(4-nitrophenyl)methylidene]amino] 4-(2,4-dichlorophenoxy)butanoate
MolecularFormula	C17H15N3O5Cl2
Smiles	N/C(/c(cc1)ccc1[N+]([O-])=O)=N/OC(CCCOc(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C17H15Cl2N3O5/c18-12-5-8-15(14(19)10-12)26-9-1-2-16(23)27-21-17(20)11-3-6-13(7-4-11)22(24)25/h3-8,10H,1-2,9H2,(H2,20,21)
InChIK	CFBPEOLXZNYMGV-UHFFFAOYSA-N
TotalMolweight	412.228
Molweight	412.228
MonoisotopicMass	411.038876
CLogP	3.8462
CLogS	-5.788
H Acceptors	8
H Donors	1
TotalSurfaceArea	298.05
Relative PSA	0.30277
PolarSurfaceArea	119.73
Druglikeness	-13.687
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.7037
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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