Molecule

ID:13310

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁NO
Molecular Mass
171.27984
Exact Mass
171.1623143
Charge
0
InChI
InChI=1S/C10H21NO/c1-8-4-3-5-10(6-8)11-7-9(2)12/h8-12H,3-7H2,1-2H3
InChIKey
NRPGTWMBGPTPRM-UHFFFAOYSA-N
Canonic Smiles
CC(CNC1CCCC(C1)C)O
Isomeric Smiles
C1CC(CC(C1)NCC(C)O)C
Calculated Properties
JChem
Acid pKa
15.296256
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.6116693
LogD (pH = 7.4)
-1.1544186
Log P
1.6198841
Molar Refractivity
50.9673
Polarizability
20.570166
Polar Surface Area
32.26
Rotatable Bonds
3
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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