Molecule

ID:20753

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClNO
Molecular Mass
205.7249
Exact Mass
205.12334195
Charge
0
InChI
InChI=1S/C10H19NO.ClH/c1-9(2)7-12-8-10-3-5-11-6-4-10;/h10-11H,1,3-8H2,2H3;1H
InChIKey
YHLGBKOGVRFBIP-UHFFFAOYSA-N
Canonic Smiles
CC(=C)COCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(COCC(=C)C)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0279021
LogD (pH = 7.4)
-1.5671474
Log P
1.2035195
Molar Refractivity
51.4316
Polarizability
20.407072
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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