2-[[(Z)-2-benzamido-3-(3-bromophenyl)prop-2-enoyl]amino]acetic acid

Formula:C18H15N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(Z)-2-benzamido-3-(3-bromophenyl)prop-2-enoyl]amino]acetic acid is a drug-like molecule.

MolName	2-[[(Z)-2-benzamido-3-(3-bromophenyl)prop-2-enoyl]amino]acetic acid
MolecularFormula	C18H15N2O4Br
Smiles	OC(CNC(/C(/NC(c1ccccc1)=O)=C/c1cccc(Br)c1)=O)=O
InChI	InChI=1S/C18H15BrN2O4/c19-14-8-4-5-12(9-14)10-15(18(25)20-11-16(22)23)21-17(24)13-6-2-1-3-7-13/h1-10H,11H2,(H,20,25)(H,21,24)(H,22,23)
InChIK	CLLWGSGJCLVLAV-UHFFFAOYSA-N
TotalMolweight	403.231
Molweight	403.231
MonoisotopicMass	402.021519
CLogP	2.5703
CLogS	-3.975
H Acceptors	6
H Donors	3
TotalSurfaceArea	272.64
Relative PSA	0.2756
PolarSurfaceArea	95.5
Druglikeness	-3.3253
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-[[(Z)-2-benzamido-3-(3-bromophenyl)prop-2-enoyl]amino]acetic acid | 2 - 2-[[(Z)-2-benzamido-3-(3-bromophenyl)prop-2-enoyl]amino]acetic acid

Request More Details | 2-[[(Z)-2-benzamido-3-(3-bromophenyl)prop-2-enoyl]amino]acetic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments