Molecule

ID:21009

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO
Molecular Mass
163.64516
Exact Mass
163.07639175
Charge
0
InChI
InChI=1S/C7H13NO.ClH/c1-2-5-9-7-3-4-8-6-7;/h2,7-8H,1,3-6H2;1H
InChIKey
FPHKQNKWAPBFSU-UHFFFAOYSA-N
Canonic Smiles
C=CCOC1CNCC1.Cl
Isomeric Smiles
C1C(CNC1)OCC=C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7945604
LogD (pH = 7.4)
-2.413233
Log P
0.4395977
Molar Refractivity
37.4662
Polarizability
14.872782
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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