Molecule

ID:129224

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N
Molecular Mass
111.18482
Exact Mass
111.10479942
Charge
0
InChI
InChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2
InChIKey
SBYHFKPVCBCYGV-UHFFFAOYSA-N
Canonic Smiles
C1CN2CCC1CC2
Isomeric Smiles
N12CCC(CC1)CC2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.6419601
LogD (pH = 7.4)
-2.3472896
Log P
0.8540218
Molar Refractivity
34.9471
Polarizability
13.705201
Polar Surface Area
3.24
Rotatable Bonds
0
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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