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

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

MolName	[2-[(5-chloropyridin-2-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(cc1)ncc1Cl
InChI	InChI=1S/C14H10BrClN2O4/c15-11-4-2-10(22-11)3-6-14(20)21-8-13(19)18-12-5-1-9(16)7-17-12/h1-7H,8H2,(H,17,18,19)
InChIK	DHMRBZAFVJJFTC-UHFFFAOYSA-N
TotalMolweight	385.6
Molweight	385.6
MonoisotopicMass	383.951246
CLogP	2.662
CLogS	-4.146
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	0.72727
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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