Molecule

ID:108756

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO
Molecular Mass
127.18422
Exact Mass
127.09971404
Charge
0
InChI
InChI=1S/C7H13NO/c1-2-3-8-4-6-9-7-5-8/h2H,1,3-7H2
InChIKey
SUSANAYXICMXBL-UHFFFAOYSA-N
Canonic Smiles
C=CCN1CCOCC1
Isomeric Smiles
C=CCN1CCOCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.9371236
LogD (pH = 7.4)
0.514206
Log P
0.7029188
Molar Refractivity
38.2253
Polarizability
14.872782
Polar Surface Area
12.47
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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