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

Formula:C19H17N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]propanoic acid is a drug-like molecule.

MolName	3-[[(E)-2-[(4-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]propanoic acid
MolecularFormula	C19H17N2O4Br
Smiles	OC(CCNC(/C(/NC(c(cc1)ccc1Br)=O)=C\c1ccccc1)=O)=O
InChI	InChI=1S/C19H17BrN2O4/c20-15-8-6-14(7-9-15)18(25)22-16(12-13-4-2-1-3-5-13)19(26)21-11-10-17(23)24/h1-9,12H,10-11H2,(H,21,26)(H,22,25)(H,23,24)
InChIK	LDMKCCVDAFHYRH-UHFFFAOYSA-N
TotalMolweight	417.258
Molweight	417.258
MonoisotopicMass	416.037169
CLogP	3.0247
CLogS	-4.245
H Acceptors	6
H Donors	3
TotalSurfaceArea	286.4
Relative PSA	0.26236
PolarSurfaceArea	95.5
Druglikeness	1.6623
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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

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