4-[[(E)-2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid

Formula:C21H15N2O5Br Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-[[(E)-2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	4-[[(E)-2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
MolecularFormula	C21H15N2O5Br
Smiles	OC(c(cc1)ccc1NC(/C(/NC(c(cc1)ccc1Br)=O)=C\c1ccco1)=O)=O
InChI	InChI=1S/C21H15BrN2O5/c22-15-7-3-13(4-8-15)19(25)24-18(12-17-2-1-11-29-17)20(26)23-16-9-5-14(6-10-16)21(27)28/h1-12H,(H,23,26)(H,24,25)(H,27,28)
InChIK	YBOWZNZULASHOO-UHFFFAOYSA-N
TotalMolweight	455.263
Molweight	455.263
MonoisotopicMass	454.016434
CLogP	3.8228
CLogS	-5.402
H Acceptors	7
H Donors	3
TotalSurfaceArea	308.33
Relative PSA	0.28946
PolarSurfaceArea	108.64
Druglikeness	0.88304
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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1 - 4-[[(E)-2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid | 2 - 4-[[(E)-2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid

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