Molecule

ID:55162

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂
Molecular Mass
142.24192
Exact Mass
142.14699859
Charge
0
InChI
InChI=1S/C8H18N2/c1-8(2,7-9)10-5-3-4-6-10/h3-7,9H2,1-2H3
InChIKey
GVGRFFLFCVMJOH-UHFFFAOYSA-N
Canonic Smiles
NCC(N1CCCC1)(C)C
Isomeric Smiles
N1(CCCC1)C(CN)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.775461
LogD (pH = 7.4)
-2.691199
Log P
0.49613482
Molar Refractivity
44.5359
Polarizability
17.811394
Polar Surface Area
29.26
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
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References
Bioactivity
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