N-[4-[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]phenyl]-3,5-dinitrobenzamide

Formula:C20H13N3O7 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[4-[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]phenyl]-3,5-dinitrobenzamide is a drug-like molecule.

MolName	N-[4-[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]phenyl]-3,5-dinitrobenzamide
MolecularFormula	C20H13N3O7
Smiles	[O-][N+](c1cc(C(Nc2ccc(/C=C/C(c3ccco3)=O)cc2)=O)cc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C20H13N3O7/c24-18(19-2-1-9-30-19)8-5-13-3-6-15(7-4-13)21-20(25)14-10-16(22(26)27)12-17(11-14)23(28)29/h1-12H,(H,21,25)
InChIK	UJZKNDAOAMETIN-UHFFFAOYSA-N
TotalMolweight	407.337
Molweight	407.337
MonoisotopicMass	407.075352
CLogP	1.7968
CLogS	-5.954
H Acceptors	10
H Donors	1
TotalSurfaceArea	303.27
Relative PSA	0.37092
PolarSurfaceArea	150.95
Druglikeness	-2.6567
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	7
Amides	1
AcidicOxygens	2
StereoCon

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