Molecule

ID:21132

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClNO
Molecular Mass
193.7142
Exact Mass
193.12334195
Charge
0
InChI
InChI=1S/C9H19NO.ClH/c1-2-11-7-5-9-4-3-6-10-8-9;/h9-10H,2-8H2,1H3;1H
InChIKey
AGDIILKWLMAFIC-UHFFFAOYSA-N
Canonic Smiles
CCOCCC1CCCNC1.Cl
Isomeric Smiles
N1CC(CCOCC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2040374
LogD (pH = 7.4)
-1.8279946
Log P
1.030285
Molar Refractivity
47.3365
Polarizability
18.799707
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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