3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyano-N-(2-methylphenyl)prop-2-enamide

Formula:C21H14N3O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyano-N-(2-methylphenyl)prop-2-enamide is a drug-like molecule.

MolName	3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyano-N-(2-methylphenyl)prop-2-enamide
MolecularFormula	C21H14N3O4Cl
Smiles	Cc(cccc1)c1NC(C(C#N)=Cc1ccc(-c(cc2)cc([N+]([O-])=O)c2Cl)o1)=O
InChI	InChI=1S/C21H14ClN3O4/c1-13-4-2-3-5-18(13)24-21(26)15(12-23)10-16-7-9-20(29-16)14-6-8-17(22)19(11-14)25(27)28/h2-11H,1H3,(H,24,26)
InChIK	AMLDUXYZMTZVBY-UHFFFAOYSA-N
TotalMolweight	407.812
Molweight	407.812
MonoisotopicMass	407.067284
CLogP	3.9555
CLogS	-6.77
H Acceptors	7
H Donors	1
TotalSurfaceArea	309.45
Relative PSA	0.26689
PolarSurfaceArea	111.85
Druglikeness	-5.76
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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