1,3-bis[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]urea

Formula:C23H16N6O7 Mutagenic:high Tumorigenic:high Reproductive Effective:none 1,3-bis[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]urea is not a drug-like molecule.

MolName	1,3-bis[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]urea
MolecularFormula	C23H16N6O7
Smiles	[O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(N/N=C\c2ccc(-c(cc3)ccc3[N+]([O-])=O)o2)=O)o1)=O
InChI	InChI=1S/C23H16N6O7/c30-23(26-24-13-19-9-11-21(35-19)15-1-5-17(6-2-15)28(31)32)27-25-14-20-10-12-22(36-20)16-3-7-18(8-4-16)29(33)34/h1-14H,(H2,26,27,30)
InChIK	PSOSHJFUCBFQRG-UHFFFAOYSA-N
TotalMolweight	488.415
Molweight	488.415
MonoisotopicMass	488.108049
CLogP	3.6246
CLogS	-8.67
H Acceptors	13
H Donors	2
TotalSurfaceArea	369.45
Relative PSA	0.4007
PolarSurfaceArea	183.77
Druglikeness	0.55539
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.69444
Fragments	1
Non HAtoms	36
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	19
AcidicOxygens	2
StereoCon

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