Molecule

ID:30302

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-15-13-8-4-5-11(9-13)10-14-12-6-2-3-7-12;/h4-5,8-9,12,14H,2-3,6-7,10H2,1H3;1H
InChIKey
JXFPCPFVNSYHEE-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)CNC1CCCC1.Cl
Isomeric Smiles
N(Cc1cc(OC)ccc1)C1CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.48300904
LogD (pH = 7.4)
0.31514838
Log P
2.7286253
Molar Refractivity
62.1824
Polarizability
24.71252
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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