Molecule

ID:46378

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-11-4-2-3-5-13(11)10-15-9-12-6-7-14-8-12;/h2-5,12,14H,6-10H2,1H3;1H
InChIKey
OGMHKXWPSOSJPW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1COCC1CNCC1.Cl
Isomeric Smiles
N1CC(COCc2c(C)cccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1766869
LogD (pH = 7.4)
-1.0700749
Log P
2.063791
Molar Refractivity
62.9409
Polarizability
24.648624
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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