Molecule

ID:10742

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇N
Molecular Mass
115.21658
Exact Mass
115.13609955
Charge
0
InChI
InChI=1S/C7H17N/c1-6(2)8(5)7(3)4/h6-7H,1-5H3
InChIKey
ISRXMEYARGEVIU-UHFFFAOYSA-N
Canonic Smiles
CC(N(C(C)C)C)C
Isomeric Smiles
N(C)(C(C)C)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.7500728
LogD (pH = 7.4)
-1.199452
Log P
1.7369354
Molar Refractivity
38.3229
Polarizability
15.189125
Polar Surface Area
3.24
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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