Molecule

ID:92462

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂ClNO₄
Molecular Mass
255.73898
Exact Mass
255.12373587
Charge
0
InChI
InChI=1S/C10H21NO4.ClH/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12;/h7-10,12-15H,2-6H2,1H3;1H/t7-,8+,9-,10-;/m0./s1
InChIKey
QPAFAUYWVZMWPR-KHTMYQNFSA-N
Canonic Smiles
CCCCN1C[C@@H](O)[C@@H]([C@H]([C@@H]1CO)O)O.Cl
Isomeric Smiles
N1([C@H]([C@@H]([C@@H](O)[C@@H](C1)O)O)CO)CCCC.Cl
Calculated Properties
JChem
Acid pKa
12.902159
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-4.0550327
LogD (pH = 7.4)
-2.3039815
Log P
-1.1787962
Molar Refractivity
55.7427
Polarizability
22.479631
Polar Surface Area
84.16
Rotatable Bonds
4
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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