Molecule

ID:51472

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉Cl₂N₃O
Molecular Mass
280.19406
Exact Mass
279.0905176
Charge
0
InChI
InChI=1S/C11H17N3O.2ClH/c1-8-6-14(7-9(2)15-8)11-4-3-10(12)5-13-11;;/h3-5,8-9H,6-7,12H2,1-2H3;2*1H/t8-,9+;;
InChIKey
MGTAMNDBJSINTP-DRJPZDRJSA-N
Canonic Smiles
C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)N.Cl.Cl
Isomeric Smiles
N1(c2ncc(N)cc2)C[C@H](O[C@H](C1)C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.121957056
LogD (pH = 7.4)
1.1439894
Log P
1.2437984
Molar Refractivity
61.2557
Polarizability
22.721037
Polar Surface Area
51.38
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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