Molecule

ID:55192

General Information
Structure
MolImage
Molecular Formula
C₈H₂₀ClN
Molecular Mass
165.7041
Exact Mass
165.12842733
Charge
0
InChI
InChI=1S/C8H19N.ClH/c1-5-6-9-8(4)7(2)3;/h7-9H,5-6H2,1-4H3;1H
InChIKey
YRYYIKNHHFNSSL-UHFFFAOYSA-N
Canonic Smiles
CCCNC(C(C)C)C.Cl
Isomeric Smiles
C(C(C)NCCC)(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.8921803
LogD (pH = 7.4)
-0.7301917
Log P
2.34733
Molar Refractivity
42.129
Polarizability
17.036163
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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