1-N,4-N-bis[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzene-1,4-dicarboxamide

Formula:C30H20N6O8 Mutagenic:high Tumorigenic:high Reproductive Effective:none 1-N,4-N-bis[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzene-1,4-dicarboxamide is not a drug-like molecule.

MolName	1-N,4-N-bis[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzene-1,4-dicarboxamide
MolecularFormula	C30H20N6O8
Smiles	[O-][N+](c(cccc1)c1-c1ccc(/C=N\NC(c(cc2)ccc2C(N/N=C\c2ccc(-c(cccc3)c3[N+]([O-])=O)o2)=O)=O)o1)=O
InChI	InChI=1S/C30H20N6O8/c37-29(33-31-17-21-13-15-27(43-21)23-5-1-3-7-25(23)35(39)40)19-9-11-20(12-10-19)30(38)34-32-18-22-14-16-28(44-22)24-6-2-4-8-26(24)36(41)42/h1-18H,(H,33,37)(H,34,38)
InChIK	IPTSBUWFOWLBLZ-UHFFFAOYSA-N
TotalMolweight	592.523
Molweight	592.523
MonoisotopicMass	592.134264
CLogP	4.7782
CLogS	-9.666
H Acceptors	14
H Donors	2
TotalSurfaceArea	446.96
Relative PSA	0.36039
PolarSurfaceArea	200.84
Druglikeness	1.38
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.59091
Fragments	1
Non HAtoms	44
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	2
Symmetricatoms	23
AcidicOxygens	2
StereoCon

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1 - 1-N,4-N-bis[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzene-1,4-dicarboxamide | 2 - 1-N,4-N-bis[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzene-1,4-dicarboxamide

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