(E)-3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid

Formula:C16H12NO5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid
MolecularFormula	C16H12NO5Cl
Smiles	[O-][N+](c1ccc(COc(ccc(/C=C/C(O)=O)c2)c2Cl)cc1)=O
InChI	InChI=1S/C16H12ClNO5/c17-14-9-11(4-8-16(19)20)3-7-15(14)23-10-12-1-5-13(6-2-12)18(21)22/h1-9H,10H2,(H,19,20)
InChIK	JXBHVBGYXKVAHC-UHFFFAOYSA-N
TotalMolweight	333.726
Molweight	333.726
MonoisotopicMass	333.040401
CLogP	2.5064
CLogS	-4.536
H Acceptors	6
H Donors	1
TotalSurfaceArea	246.47
Relative PSA	0.27005
PolarSurfaceArea	92.35
Druglikeness	-4.9338
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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