Molecule
ID:15410
General Information
Molecular Formula
C₄H₁₂ClNO
Molecular Mass
125.59718
Exact Mass
125.06074169
Charge
0
InChI
InChI=1S/C4H11NO.ClH/c1-2-6-4-3-5;/h2-5H2,1H3;1H
InChIKey
XIPPQCNBPIXCER-UHFFFAOYSA-N
Canonic Smiles
NCCOCC.Cl
Isomeric Smiles
NCCOCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2987378
LogD (pH = 7.4)
-2.3231037
Log P
-0.3156264
Molar Refractivity
25.7109
Polarizability
10.314882
Polar Surface Area
35.25
Rotatable Bonds
3
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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