3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoic acid

Formula:C19H16N2O4BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoic acid is a drug-like molecule.

MolName	3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoic acid
MolecularFormula	C19H16N2O4BrCl
Smiles	OC(CCNC(/C(/NC(c(cc1)ccc1Br)=O)=C\c(cc1)ccc1Cl)=O)=O
InChI	InChI=1S/C19H16BrClN2O4/c20-14-5-3-13(4-6-14)18(26)23-16(19(27)22-10-9-17(24)25)11-12-1-7-15(21)8-2-12/h1-8,11H,9-10H2,(H,22,27)(H,23,26)(H,24,25)
InChIK	YIJKQGXZKOKONA-UHFFFAOYSA-N
TotalMolweight	451.703
Molweight	451.703
MonoisotopicMass	449.998196
CLogP	3.6307
CLogS	-4.981
H Acceptors	6
H Donors	3
TotalSurfaceArea	301.82
Relative PSA	0.24896
PolarSurfaceArea	95.5
Druglikeness	1.7301
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoic acid | 2 - 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoic acid

Request More Details | 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments