(E)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)-N-(3-nitrophenyl)prop-2-enamide

Formula:C16H9N3O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)-N-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
MolecularFormula	C16H9N3O4Cl2
Smiles	N#C/C(/C(Nc1cc([N+]([O-])=O)ccc1)=O)=C\c(cc1Cl)cc(Cl)c1O
InChI	InChI=1S/C16H9Cl2N3O4/c17-13-5-9(6-14(18)15(13)22)4-10(8-19)16(23)20-11-2-1-3-12(7-11)21(24)25/h1-7,22H,(H,20,23)
InChIK	SMDCDTCWFMDXQN-UHFFFAOYSA-N
TotalMolweight	378.17
Molweight	378.17
MonoisotopicMass	376.997011
CLogP	2.933
CLogS	-5.406
H Acceptors	7
H Donors	2
TotalSurfaceArea	269.51
Relative PSA	0.3027
PolarSurfaceArea	118.94
Druglikeness	-6.7601
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

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