Molecule

ID:13523

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO
Molecular Mass
143.22668
Exact Mass
143.13101417
Charge
0
InChI
InChI=1S/C8H17NO/c1-7(2)9-6-8-4-3-5-10-8/h7-9H,3-6H2,1-2H3
InChIKey
PELLLKANMONICH-UHFFFAOYSA-N
Canonic Smiles
CC(NCC1CCCO1)C
Isomeric Smiles
C1CC(OC1)CNC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2194524
LogD (pH = 7.4)
-1.5104649
Log P
0.99909353
Molar Refractivity
42.1155
Polarizability
16.955612
Polar Surface Area
21.26
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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