Molecule

ID:68533

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClNO
Molecular Mass
123.5813
Exact Mass
123.04509163
Charge
0
InChI
InChI=1S/C4H9NO.ClH/c5-4-1-2-6-3-4;/h4H,1-3,5H2;1H/t4-;/m1./s1
InChIKey
MHOVLDXJDIEEMJ-PGMHMLKASA-N
Canonic Smiles
N[C@H]1COCC1.Cl
Isomeric Smiles
O1C[C@@H](CC1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.7259088
LogD (pH = 7.4)
-2.9165251
Log P
-0.7242325
Molar Refractivity
23.5289
Polarizability
9.589044
Polar Surface Area
35.25
Rotatable Bonds
0
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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