Molecule

ID:70828

General Information
Structure
MolImage
Molecular Formula
C₄H₁₂ClNO
Molecular Mass
125.59718
Exact Mass
125.06074169
Charge
0
InChI
InChI=1S/C4H11NO.ClH/c1-4(5)3-6-2;/h4H,3,5H2,1-2H3;1H/t4-;/m1./s1
InChIKey
RVDUOVVHQKMQLM-PGMHMLKASA-N
Canonic Smiles
COC[C@H](N)C.Cl
Isomeric Smiles
C([C@@H](C)N)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2594244
LogD (pH = 7.4)
-2.4717588
Log P
-0.25585935
Molar Refractivity
25.3811
Polarizability
10.314882
Polar Surface Area
35.25
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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