2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoyl]amino]acetic acid

Formula:C19H15N2O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoyl]amino]acetic acid is a drug-like molecule.

MolName	2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoyl]amino]acetic acid
MolecularFormula	C19H15N2O6Br
Smiles	OC(CNC(/C(/NC(c(cccc1)c1Br)=O)=C/c(cc1)cc2c1OCO2)=O)=O
InChI	InChI=1S/C19H15BrN2O6/c20-13-4-2-1-3-12(13)18(25)22-14(19(26)21-9-17(23)24)7-11-5-6-15-16(8-11)28-10-27-15/h1-8H,9-10H2,(H,21,26)(H,22,25)(H,23,24)
InChIK	OGIGGBPLNQCSKI-UHFFFAOYSA-N
TotalMolweight	447.24
Molweight	447.24
MonoisotopicMass	446.011349
CLogP	2.6817
CLogS	-4.686
H Acceptors	8
H Donors	3
TotalSurfaceArea	292.9
Relative PSA	0.32482
PolarSurfaceArea	113.96
Druglikeness	-3.3447
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoyl]amino]acetic acid | 2 - 2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoyl]amino]acetic acid

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