Molecule

ID:30883

General Information
Structure
Molecular Formula
C₁₀H₁₆Cl₂N₂O₂
Molecular Mass
267.15224
Exact Mass
266.05888312
Charge
0
InChI
InChI=1S/C10H14N2O2.2ClH/c1-12(6-4-10(13)14)8-9-3-2-5-11-7-9;;/h2-3,5,7H,4,6,8H2,1H3,(H,13,14);2*1H
InChIKey
MYGAJHVVVCGHKY-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1cccnc1)CCC(=O)O.Cl.Cl
Isomeric Smiles
C(=O)(CCN(Cc1cnccc1)C)O.Cl.Cl
Calculated Properties
JChem
Acid pKa
3.4241526
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.3174994
LogD (pH = 7.4)
-2.3350835
Log P
-2.315973
Molar Refractivity
53.2278
Polarizability
20.675922
Polar Surface Area
53.43
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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