4-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Formula:C20H15N3O5 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is a drug-like molecule.

MolName	4-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
MolecularFormula	C20H15N3O5
Smiles	[O-][N+](c(cccc1)c1-c1ccc(/C=N\N(C(C2C3C4C=CC2C4)=O)C3=O)o1)=O
InChI	InChI=1S/C20H15N3O5/c24-19-17-11-5-6-12(9-11)18(17)20(25)22(19)21-10-13-7-8-16(28-13)14-3-1-2-4-15(14)23(26)27/h1-8,10-12,17-18H,9H2
InChIK	CLJNOVYGQFYBJS-UHFFFAOYSA-N
TotalMolweight	377.355
Molweight	377.355
MonoisotopicMass	377.101172
CLogP	1.7558
CLogS	-5.188
H Acceptors	8
TotalSurfaceArea	266.7
Relative PSA	0.32122
PolarSurfaceArea	108.7
Druglikeness	2.0256
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	4
Rotatable Bond	4
Rings Closures	5
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	5
AcidicOxygens	1
StereoCon	unknown chirality

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1 - 4-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione | 2 - 4-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

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