[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Formula:C14H10N2O4BrCl Mutagenic:high Tumorigenic:high Reproductive Effective:none [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
MolecularFormula	C14H10N2O4BrCl
Smiles	O=C(COC(/C=C/c(o1)ccc1Br)=O)Nc(cccn1)c1Cl
InChI	InChI=1S/C14H10BrClN2O4/c15-11-5-3-9(22-11)4-6-13(20)21-8-12(19)18-10-2-1-7-17-14(10)16/h1-7H,8H2,(H,18,19)
InChIK	WXDHHLJARGEOBU-UHFFFAOYSA-N
TotalMolweight	385.6
Molweight	385.6
MonoisotopicMass	383.951246
CLogP	2.408
CLogS	-3.384
H Acceptors	6
H Donors	1
TotalSurfaceArea	252.74
Relative PSA	0.28733
PolarSurfaceArea	81.43
Druglikeness	-1.9452
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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