Molecule

ID:136164

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO
Molecular Mass
169.26396
Exact Mass
169.14666423
Charge
0
InChI
InChI=1S/C10H19NO/c1-2-8-6-11-4-3-9(8)5-10(11)7-12/h8-10,12H,2-7H2,1H3/t8-,9-,10+/m0/s1
InChIKey
CWZWBZXPEJJRSS-LPEHRKFASA-N
Canonic Smiles
CC[C@H]1CN2CC[C@H]1C[C@@H]2CO
Isomeric Smiles
CC[C@H]1CN2CC[C@H]1C[C@@H]2CO
Calculated Properties
JChem
Acid pKa
15.11224
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3911748
LogD (pH = 7.4)
-1.2550906
Log P
1.0332284
Molar Refractivity
49.9822
Polarizability
19.837076
Polar Surface Area
23.47
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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