Molecule

ID:45976

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClNO
Molecular Mass
123.5813
Exact Mass
123.04509163
Charge
0
InChI
InChI=1S/C4H9NO.ClH/c1-6-4-2-5-3-4;/h4-5H,2-3H2,1H3;1H
InChIKey
KSXGQRBTBLQJEF-UHFFFAOYSA-N
Canonic Smiles
COC1CNC1.Cl
Isomeric Smiles
C1C(CN1)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.3075266
LogD (pH = 7.4)
-1.7357757
Log P
-0.35161185
Molar Refractivity
23.4381
Polarizability
9.589044
Polar Surface Area
21.26
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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