Molecule

ID:29618

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇N
Molecular Mass
127.22728
Exact Mass
127.13609955
Charge
0
InChI
InChI=1S/C8H17N/c1-3-7(2)9-6-8-4-5-8/h7-9H,3-6H2,1-2H3
InChIKey
RHSXPSUUWHRARR-UHFFFAOYSA-N
Canonic Smiles
CCC(NCC1CC1)C
Isomeric Smiles
C1(CC1)CNC(CC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3552039
LogD (pH = 7.4)
-1.1570967
Log P
1.8836042
Molar Refractivity
40.3268
Polarizability
16.292534
Polar Surface Area
12.03
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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