[(E)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] furan-2-carboxylate

Formula:C17H15N3O7 Mutagenic:high Tumorigenic:low Reproductive Effective:none [(E)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] furan-2-carboxylate is a drug-like molecule.

MolName	[(E)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] furan-2-carboxylate
MolecularFormula	C17H15N3O7
Smiles	[O-][N+](c1cc([N+]([O-])=O)c(C(CCCC2)/C2=N/OC(c2ccco2)=O)cc1)=O
InChI	InChI=1S/C17H15N3O7/c21-17(16-6-3-9-26-16)27-18-14-5-2-1-4-12(14)13-8-7-11(19(22)23)10-15(13)20(24)25/h3,6-10,12H,1-2,4-5H2/b18-14+/t12-/m1/s1
InChIK	QVLBZDANHVVABB-FNFFHQHPSA-N
TotalMolweight	373.32
Molweight	373.32
MonoisotopicMass	373.091002
CLogP	2.7587
CLogS	-5.468
H Acceptors	10
TotalSurfaceArea	274.81
Relative PSA	0.39846
PolarSurfaceArea	143.44
Druglikeness	-11.695
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
AcidicOxygens	2
StereoCon	racemate

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