Molecule

ID:126683

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇N
Molecular Mass
127.22728
Exact Mass
127.13609955
Charge
0
InChI
InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1
InChIKey
NDNUANOUGZGEPO-QMMMGPOBSA-N
Canonic Smiles
CCC[C@H]1CCCCN1
Isomeric Smiles
N1[C@@H](CCC)CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1946206
LogD (pH = 7.4)
-0.8684037
Log P
2.0411537
Molar Refractivity
40.3792
Polarizability
16.292534
Polar Surface Area
12.03
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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