3,5-dibromo-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid

Formula:C14H9NO4Br2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 3,5-dibromo-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	3,5-dibromo-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
MolecularFormula	C14H9NO4Br2
Smiles	OC(c1cc(Br)cc(Br)c1NC(/C=C/c1ccco1)=O)=O
InChI	InChI=1S/C14H9Br2NO4/c15-8-6-10(14(19)20)13(11(16)7-8)17-12(18)4-3-9-2-1-5-21-9/h1-7H,(H,17,18)(H,19,20)
InChIK	MZBHOIRFTGXSEL-UHFFFAOYSA-N
TotalMolweight	415.036
Molweight	415.036
MonoisotopicMass	412.889831
CLogP	3.2605
CLogS	-4.861
H Acceptors	5
H Donors	2
TotalSurfaceArea	239.78
Relative PSA	0.27004
PolarSurfaceArea	79.54
Druglikeness	-2.0012
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

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