Molecule

ID:21496

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClN
Molecular Mass
177.7148
Exact Mass
177.12842733
Charge
0
InChI
InChI=1S/C9H19N.ClH/c1-2-3-8-10-9-6-4-5-7-9;/h9-10H,2-8H2,1H3;1H
InChIKey
PQIAXFNFHZJYDW-UHFFFAOYSA-N
Canonic Smiles
CCCCNC1CCCC1.Cl
Isomeric Smiles
N(C1CCCC1)CCCC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.75306857
LogD (pH = 7.4)
-0.5541173
Log P
2.4857223
Molar Refractivity
44.9802
Polarizability
18.13941
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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