(E)-N-(4-chloro-2-nitrophenyl)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enamide

Formula:C20H10N4O6Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-N-(4-chloro-2-nitrophenyl)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enamide is a drug-like molecule.

MolName	(E)-N-(4-chloro-2-nitrophenyl)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enamide
MolecularFormula	C20H10N4O6Cl2
Smiles	N#C/C(/C(Nc(ccc(Cl)c1)c1[N+]([O-])=O)=O)=C\c1ccc(-c(ccc([N+]([O-])=O)c2)c2Cl)o1
InChI	InChI=1S/C20H10Cl2N4O6/c21-12-1-5-17(18(8-12)26(30)31)24-20(27)11(10-23)7-14-3-6-19(32-14)15-4-2-13(25(28)29)9-16(15)22/h1-9H,(H,24,27)
InChIK	MRLBRHWLKRIQMY-UHFFFAOYSA-N
TotalMolweight	473.227
Molweight	473.227
MonoisotopicMass	471.99774
CLogP	3.296
CLogS	-7.622
H Acceptors	10
H Donors	1
TotalSurfaceArea	336.28
Relative PSA	0.33606
PolarSurfaceArea	157.67
Druglikeness	-5.7378
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Amides	1
AcidicOxygens	2
StereoCon

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