Molecule

ID:132334

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClNO₂
Molecular Mass
209.7136
Exact Mass
209.11825657
Charge
0
InChI
InChI=1S/C9H20NO2.ClH/c1-7-9(11)5-8(12-7)6-10(2,3)4;/h7-9,11H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8-,9+;/m0./s1
InChIKey
WUFRNEJYZWHXLC-CTERPIQNSA-M
Canonic Smiles
O[C@@H]1C[C@H](O[C@H]1C)C[N+](C)(C)C.[Cl-]
Isomeric Smiles
C[C@H]1[C@@H](C[C@H](O1)C[N+](C)(C)C)O.[Cl-]
Calculated Properties
JChem
Acid pKa
14.111784
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.284701
LogD (pH = 7.4)
-4.284699
Log P
-4.284701
Molar Refractivity
59.8931
Polarizability
19.357342
Polar Surface Area
29.46
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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