2-[[(E)-2-[(4-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]acetic acid

Formula:C18H14N2O4BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-2-[(4-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]acetic acid is a drug-like molecule.

MolName	2-[[(E)-2-[(4-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]acetic acid
MolecularFormula	C18H14N2O4BrCl
Smiles	OC(CNC(/C(/NC(c(cc1)ccc1Br)=O)=C\c(cc1)ccc1Cl)=O)=O
InChI	InChI=1S/C18H14BrClN2O4/c19-13-5-3-12(4-6-13)17(25)22-15(18(26)21-10-16(23)24)9-11-1-7-14(20)8-2-11/h1-9H,10H2,(H,21,26)(H,22,25)(H,23,24)
InChIK	HBHPIMKDJNRTAN-UHFFFAOYSA-N
TotalMolweight	437.676
Molweight	437.676
MonoisotopicMass	435.982546
CLogP	3.1763
CLogS	-4.711
H Acceptors	6
H Donors	3
TotalSurfaceArea	288.06
Relative PSA	0.26085
PolarSurfaceArea	95.5
Druglikeness	-3.265
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-[[(E)-2-[(4-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]acetic acid | 2 - 2-[[(E)-2-[(4-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]acetic acid

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