2-[[(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid

Formula:C17H11N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	2-[[(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid
MolecularFormula	C17H11N2O3Cl
Smiles	N#C/C(/C(Nc(cccc1)c1C(O)=O)=O)=C\c(cc1)ccc1Cl
InChI	InChI=1S/C17H11ClN2O3/c18-13-7-5-11(6-8-13)9-12(10-19)16(21)20-15-4-2-1-3-14(15)17(22)23/h1-9H,(H,20,21)(H,22,23)
InChIK	IMVJSWZAAFAEJC-UHFFFAOYSA-N
TotalMolweight	326.738
Molweight	326.738
MonoisotopicMass	326.04582
CLogP	3.0794
CLogS	-4.519
H Acceptors	5
H Donors	2
TotalSurfaceArea	248.17
Relative PSA	0.25869
PolarSurfaceArea	90.19
Druglikeness	-1.781
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-[[(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid | 2 - 2-[[(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid

Request More Details | 2-[[(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments