[4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate

Formula:C18H12N4O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.

MolName	[4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
MolecularFormula	C18H12N4O7
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\c(cc1)ccc1OC(c1ccco1)=O)=O
InChI	InChI=1S/C18H12N4O7/c23-18(17-2-1-9-28-17)29-14-6-3-12(4-7-14)11-19-20-15-8-5-13(21(24)25)10-16(15)22(26)27/h1-11,20H
InChIK	CEKYERBLOISCOV-UHFFFAOYSA-N
TotalMolweight	396.314
Molweight	396.314
MonoisotopicMass	396.070601
CLogP	3.6169
CLogS	-5.221
H Acceptors	11
H Donors	1
TotalSurfaceArea	293.78
Relative PSA	0.41174
PolarSurfaceArea	155.47
Druglikeness	-2.9038
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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