(E)-2-benzamido-3-(6-chloro-1,3-benzodioxol-5-yl)prop-2-enoic acid

Formula:C17H12NO5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-benzamido-3-(6-chloro-1,3-benzodioxol-5-yl)prop-2-enoic acid is a drug-like molecule.

MolName	(E)-2-benzamido-3-(6-chloro-1,3-benzodioxol-5-yl)prop-2-enoic acid
MolecularFormula	C17H12NO5Cl
Smiles	OC(/C(/NC(c1ccccc1)=O)=C\c(cc1OCOc1c1)c1Cl)=O
InChI	InChI=1S/C17H12ClNO5/c18-12-8-15-14(23-9-24-15)7-11(12)6-13(17(21)22)19-16(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)(H,21,22)
InChIK	JOKSFVXSUJVYPB-UHFFFAOYSA-N
TotalMolweight	345.737
Molweight	345.737
MonoisotopicMass	345.040401
CLogP	3.4788
CLogS	-4.821
H Acceptors	6
H Donors	2
TotalSurfaceArea	246.72
Relative PSA	0.28632
PolarSurfaceArea	84.86
Druglikeness	-0.33
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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