Molecule

ID:117951

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇N
Molecular Mass
127.22728
Exact Mass
127.13609955
Charge
0
InChI
InChI=1S/C8H17N/c1-7-2-4-8(6-9)5-3-7/h7-8H,2-6,9H2,1H3
InChIKey
ZMKGMRDHYTYLDH-UHFFFAOYSA-N
Canonic Smiles
NCC1CCC(CC1)C
Isomeric Smiles
NCC1CCC(CC1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2484459
LogD (pH = 7.4)
-0.8375314
Log P
1.7758435
Molar Refractivity
40.2124
Polarizability
16.292534
Polar Surface Area
26.02
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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