2-[[(Z)-3-(4-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]acetic acid

Formula:C16H13N2O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(Z)-3-(4-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]acetic acid is a drug-like molecule.

MolName	2-[[(Z)-3-(4-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]acetic acid
MolecularFormula	C16H13N2O5Br
Smiles	OC(CNC(/C(/NC(c1ccco1)=O)=C/c(cc1)ccc1Br)=O)=O
InChI	InChI=1S/C16H13BrN2O5/c17-11-5-3-10(4-6-11)8-12(15(22)18-9-14(20)21)19-16(23)13-2-1-7-24-13/h1-8H,9H2,(H,18,22)(H,19,23)(H,20,21)
InChIK	ZLSCLJQZWRKZAV-UHFFFAOYSA-N
TotalMolweight	393.192
Molweight	393.192
MonoisotopicMass	392.000784
CLogP	1.759
CLogS	-3.657
H Acceptors	7
H Donors	3
TotalSurfaceArea	262.33
Relative PSA	0.34022
PolarSurfaceArea	108.64
Druglikeness	-3.3246
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-[[(Z)-3-(4-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]acetic acid | 2 - 2-[[(Z)-3-(4-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]acetic acid

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