Molecule

ID:15403

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂ClNO₂
Molecular Mass
235.75088
Exact Mass
235.13390663
Charge
0
InChI
InChI=1S/C11H21NO2.ClH/c1-3-10(7-12-5-1)8-13-9-11-4-2-6-14-11;/h10-12H,1-9H2;1H
InChIKey
YTVWDOWKGSCDLO-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)COCC1CCCO1.Cl
Isomeric Smiles
C1C(CCCN1)COCC1CCCO1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.540178
LogD (pH = 7.4)
-2.025237
Log P
0.68905413
Molar Refractivity
56.1428
Polarizability
22.442715
Polar Surface Area
30.49
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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