(2,4-dichlorophenyl) (E)-3-(2-chloro-5-nitrophenyl)prop-2-enoate

Formula:C15H8NO4Cl3 Mutagenic:none Tumorigenic:high Reproductive Effective:high (2,4-dichlorophenyl) (E)-3-(2-chloro-5-nitrophenyl)prop-2-enoate is a drug-like molecule.

MolName	(2,4-dichlorophenyl) (E)-3-(2-chloro-5-nitrophenyl)prop-2-enoate
MolecularFormula	C15H8NO4Cl3
Smiles	[O-][N+](c(cc1)cc(/C=C/C(Oc(ccc(Cl)c2)c2Cl)=O)c1Cl)=O
InChI	InChI=1S/C15H8Cl3NO4/c16-10-2-5-14(13(18)8-10)23-15(20)6-1-9-7-11(19(21)22)3-4-12(9)17/h1-8H
InChIK	KWBJNIPJXOSWBD-UHFFFAOYSA-N
TotalMolweight	372.591
Molweight	372.591
MonoisotopicMass	370.95189
CLogP	4.3157
CLogS	-6.124
H Acceptors	5
TotalSurfaceArea	257.2
Relative PSA	0.20785
PolarSurfaceArea	72.12
Druglikeness	-8.184
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
AcidicOxygens	1
StereoCon

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