1-carbamoyl-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-(4-nitrophenyl)urea

Formula:C13H10N6O7 Mutagenic:high Tumorigenic:high Reproductive Effective:high 1-carbamoyl-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-(4-nitrophenyl)urea is not a drug-like molecule.

MolName	1-carbamoyl-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-(4-nitrophenyl)urea
MolecularFormula	C13H10N6O7
Smiles	NC(N(C(Nc(cc1)ccc1[N+]([O-])=O)=O)/N=C\c1ccc([N+]([O-])=O)o1)=O
InChI	InChI=1S/C13H10N6O7/c14-12(20)17(15-7-10-5-6-11(26-10)19(24)25)13(21)16-8-1-3-9(4-2-8)18(22)23/h1-7H,(H2,14,20)(H,16,21)
InChIK	DYTXMYFIWXLNIZ-UHFFFAOYSA-N
TotalMolweight	362.257
Molweight	362.257
MonoisotopicMass	362.061099
CLogP	0.3636
CLogS	-5.404
H Acceptors	13
H Donors	2
TotalSurfaceArea	260.59
Relative PSA	0.54806
PolarSurfaceArea	192.57
Druglikeness	3.5168
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

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