Molecule

ID:13466

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆ClN
Molecular Mass
161.67234
Exact Mass
161.0971272
Charge
0
InChI
InChI=1S/C8H15N.ClH/c1-4-5-6-9-7-8(2)3;/h8-9H,6-7H2,1-3H3;1H
InChIKey
GHBFXLHLJZXFME-UHFFFAOYSA-N
Canonic Smiles
CC#CCNCC(C)C.Cl
Isomeric Smiles
C(C)(C)CNCC#CC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0546094
LogD (pH = 7.4)
0.052795507
Log P
2.115938
Molar Refractivity
41.5186
Polarizability
15.92703
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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