Molecule

ID:134509

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇NO
Molecular Mass
131.21598
Exact Mass
131.13101417
Charge
0
InChI
InChI=1S/C7H17NO/c1-7(2,3)9-6-4-5-8/h4-6,8H2,1-3H3
InChIKey
BZCSKDXOXIUCSS-UHFFFAOYSA-N
Canonic Smiles
NCCCOC(C)(C)C
Isomeric Smiles
CC(C)(C)OCCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5809746
LogD (pH = 7.4)
-2.1189008
Log P
0.44148502
Molar Refractivity
39.6333
Polarizability
15.844791
Polar Surface Area
35.25
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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