Molecule

ID:15418

General Information
Structure
MolImage
Molecular Formula
C₅H₁₄ClNO
Molecular Mass
139.62376
Exact Mass
139.07639175
Charge
0
InChI
InChI=1S/C5H13NO.ClH/c1-3-7-5-4-6-2;/h6H,3-5H2,1-2H3;1H
InChIKey
FNLOKKWPESLTIE-UHFFFAOYSA-N
Canonic Smiles
CNCCOCC.Cl
Isomeric Smiles
N(CCOCC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0781944
LogD (pH = 7.4)
-2.1247737
Log P
0.11695398
Molar Refractivity
30.4855
Polarizability
12.157154
Polar Surface Area
21.26
Rotatable Bonds
4
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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