Molecule

ID:13864

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆ClN
Molecular Mass
173.68304
Exact Mass
173.0971272
Charge
0
InChI
InChI=1S/C9H15N.ClH/c1-2-8-10-9-6-4-3-5-7-9;/h1,9-10H,3-8H2;1H
InChIKey
OPWVWTBAPMGQMO-UHFFFAOYSA-N
Canonic Smiles
C#CCNC1CCCCC1.Cl
Isomeric Smiles
C1(CCCCC1)NCC#C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3459387
LogD (pH = 7.4)
-0.2927977
Log P
1.8344752
Molar Refractivity
43.2878
Polarizability
17.031796
Polar Surface Area
12.03
Rotatable Bonds
2
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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