Molecule

ID:21042

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-10(2)12-5-3-4-6-13(12)15-11-7-8-14-9-11;/h3-6,10-11,14H,7-9H2,1-2H3;1H
InChIKey
ATZPAIIOEIECEU-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1OC1CNCC1)C.Cl
Isomeric Smiles
c1(c(C(C)C)cccc1)OC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5862891
LogD (pH = 7.4)
-0.10616117
Log P
2.6443822
Molar Refractivity
62.003
Polarizability
24.636623
Polar Surface Area
21.26
Rotatable Bonds
3
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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