Molecule

ID:81897

General Information
Structure
MolImage
Molecular Formula
C₄H₁₂ClNO
Molecular Mass
125.59718
Exact Mass
125.06074169
Charge
0
InChI
InChI=1S/C4H11NO.ClH/c1-4(2,3)6-5;/h5H2,1-3H3;1H
InChIKey
ZBDXGNXNXXPKJI-UHFFFAOYSA-N
Canonic Smiles
NOC(C)(C)C.Cl
Isomeric Smiles
O(C(C)(C)C)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.637605
LogD (pH = 7.4)
0.6907032
Log P
0.691424
Molar Refractivity
26.1366
Polarizability
10.314882
Polar Surface Area
35.25
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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