4-[(E)-1-cyano-2-[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]ethenyl]benzoic acid

Formula:C23H14N2O5Cl2 Mutagenic:none Tumorigenic:low Reproductive Effective:high 4-[(E)-1-cyano-2-[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]ethenyl]benzoic acid is a drug-like molecule.

MolName	4-[(E)-1-cyano-2-[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]ethenyl]benzoic acid
MolecularFormula	C23H14N2O5Cl2
Smiles	N#C/C(/c(cc1)ccc1C(O)=O)=C/c(cc1Cl)cc(Cl)c1OCc(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C23H14Cl2N2O5/c24-20-10-15(9-18(12-26)16-3-5-17(6-4-16)23(28)29)11-21(25)22(20)32-13-14-1-7-19(8-2-14)27(30)31/h1-11H,13H2,(H,28,29)
InChIK	SGGNDGLADNWLKG-UHFFFAOYSA-N
TotalMolweight	469.279
Molweight	469.279
MonoisotopicMass	468.027977
CLogP	4.4562
CLogS	-6.915
H Acceptors	7
H Donors	1
TotalSurfaceArea	341.57
Relative PSA	0.23456
PolarSurfaceArea	116.14
Druglikeness	-9.8367
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	7
AcidicOxygens	2
StereoCon

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