3-[[(E)-3-(3-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]propanoic acid

Formula:C17H15N2O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-3-(3-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]propanoic acid is a drug-like molecule.

MolName	3-[[(E)-3-(3-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]propanoic acid
MolecularFormula	C17H15N2O5Br
Smiles	OC(CCNC(/C(/NC(c1ccco1)=O)=C\c1cccc(Br)c1)=O)=O
InChI	InChI=1S/C17H15BrN2O5/c18-12-4-1-3-11(9-12)10-13(16(23)19-7-6-15(21)22)20-17(24)14-5-2-8-25-14/h1-5,8-10H,6-7H2,(H,19,23)(H,20,24)(H,21,22)
InChIK	ZIFNUUJEQNVFJA-UHFFFAOYSA-N
TotalMolweight	407.219
Molweight	407.219
MonoisotopicMass	406.016434
CLogP	2.2134
CLogS	-3.927
H Acceptors	7
H Donors	3
TotalSurfaceArea	276.09
Relative PSA	0.32326
PolarSurfaceArea	108.64
Druglikeness	1.7384
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Amides	2
AcidicOxygens	1
StereoCon

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