Molecule

ID:13331

General Information
Structure
Molecular Formula
C₆H₁₀ClN
Molecular Mass
131.6033
Exact Mass
131.05017701
Charge
0
InChI
InChI=1S/C6H9N.ClH/c1-3-5-7-6-4-2;/h1,4,7H,2,5-6H2;1H
InChIKey
QRJTUMVCSIRFMX-UHFFFAOYSA-N
Canonic Smiles
C=CCNCC#C.Cl
Isomeric Smiles
N(CC#C)CC=C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.0991542
LogD (pH = 7.4)
-0.45790142
Log P
0.7664544
Molar Refractivity
31.4363
Polarizability
12.001929
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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