Molecule

ID:64587

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClNO
Molecular Mass
137.60788
Exact Mass
137.06074169
Charge
0
InChI
InChI=1S/C5H11NO.ClH/c6-3-5-1-2-7-4-5;/h5H,1-4,6H2;1H
InChIKey
LZHYUVOFRJAJKS-UHFFFAOYSA-N
Canonic Smiles
NCC1COCC1.Cl
Isomeric Smiles
O1CC(CN)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.6294296
LogD (pH = 7.4)
-3.1749508
Log P
-0.60668397
Molar Refractivity
28.5125
Polarizability
11.428371
Polar Surface Area
35.25
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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