Molecule

ID:45973

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c1-2-3-4-9-7-5-8-6-7/h7-8H,2-6H2,1H3
InChIKey
XOQLHGDEBDNAFS-UHFFFAOYSA-N
Canonic Smiles
CCCCOC1CNC1
Isomeric Smiles
N1CC(C1)OCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9830283
LogD (pH = 7.4)
-0.41070193
Log P
0.9722872
Molar Refractivity
37.3117
Polarizability
15.112169
Polar Surface Area
21.26
Rotatable Bonds
4
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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