[4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl] 2-chlorobenzoate

Formula:C22H14NO5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl] 2-chlorobenzoate is a drug-like molecule.

MolName	[4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl] 2-chlorobenzoate
MolecularFormula	C22H14NO5Cl
Smiles	[O-][N+](c1cccc(/C=C/C(c(cc2)ccc2OC(c(cccc2)c2Cl)=O)=O)c1)=O
InChI	InChI=1S/C22H14ClNO5/c23-20-7-2-1-6-19(20)22(26)29-18-11-9-16(10-12-18)21(25)13-8-15-4-3-5-17(14-15)24(27)28/h1-14H
InChIK	GOWSEHIBBOSGCQ-UHFFFAOYSA-N
TotalMolweight	407.808
Molweight	407.808
MonoisotopicMass	407.056051
CLogP	4.4187
CLogS	-6.506
H Acceptors	6
TotalSurfaceArea	303.87
Relative PSA	0.21884
PolarSurfaceArea	89.19
Druglikeness	-4.8382
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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