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C16H17N4O3Cl | Cheminformatics
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(E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one

Molecular Formula : C16H17N4O3Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one is a drug-like molecule.

MolName : (E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one

MolecularFormula : C16H17N4O3Cl

Smiles : O=C(/C=C/c1cnc[nH]1)N1CC(COc2cccnc2Cl)OCC1

InChI : InChI=1S/C16H17ClN4O3/c17-16-14(2-1-5-19-16)24-10-13-9-21(6-7-23-13)15(22)4-3-12-8-18-11-20-12/h1-5,8,11,13H,6-7,9-10H2,(H,18,20)/t13-/m1/s1

InChIK : LVGLGMVIRXIQJO-CYBMUJFWSA-N

TotalMolweight : 348.789

Molweight : 348.789

MonoisotopicMass : 348.098918

CLogP : 0.9232

CLogS : -1.567

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 264.12

Relative PSA : 0.27457

PolarSurfaceArea : 80.34

Druglikeness : 3.8968

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.625

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 8

Electronegative Atoms : 8

StereoCenters : 1

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 7

Amides : 1

Aromatic Nitrogens : 3

BasicNitrogens : 1

StereoCon : racemate

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1 - (E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one
2 - (E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one
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