Molecule

ID:50173

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁N
Molecular Mass
155.28044
Exact Mass
155.16739968
Charge
0
InChI
InChI=1S/C10H21N/c1-9(2)4-3-5-10-6-7-11-8-10/h9-11H,3-8H2,1-2H3
InChIKey
TWDWKTIDBBLOGB-UHFFFAOYSA-N
Canonic Smiles
CC(CCCC1CNCC1)C
Isomeric Smiles
N1CC(CCCC(C)C)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.597948
LogD (pH = 7.4)
-0.53342324
Log P
2.6431856
Molar Refractivity
49.6586
Polarizability
19.986317
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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