[(E)-[1-amino-2-(4-nitrophenoxy)ethylidene]amino] 2-chloropyridine-4-carboxylate

Formula:C14H11N4O5Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[1-amino-2-(4-nitrophenoxy)ethylidene]amino] 2-chloropyridine-4-carboxylate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(4-nitrophenoxy)ethylidene]amino] 2-chloropyridine-4-carboxylate
MolecularFormula	C14H11N4O5Cl
Smiles	N/C(/COc(cc1)ccc1[N+]([O-])=O)=N/OC(c1cc(Cl)ncc1)=O
InChI	InChI=1S/C14H11ClN4O5/c15-12-7-9(5-6-17-12)14(20)24-18-13(16)8-23-11-3-1-10(2-4-11)19(21)22/h1-7H,8H2,(H2,16,18)
InChIK	JUOGKPJWZDOSNE-UHFFFAOYSA-N
TotalMolweight	350.717
Molweight	350.717
MonoisotopicMass	350.041798
CLogP	1.4279
CLogS	-3.48
H Acceptors	9
H Donors	1
TotalSurfaceArea	253.87
Relative PSA	0.39867
PolarSurfaceArea	132.62
Druglikeness	-7.8044
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - [(E)-[1-amino-2-(4-nitrophenoxy)ethylidene]amino] 2-chloropyridine-4-carboxylate | 2 - [(E)-[1-amino-2-(4-nitrophenoxy)ethylidene]amino] 2-chloropyridine-4-carboxylate

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