Molecule

ID:21119

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-2-7-13(8-3-1)15-11-9-12-6-4-5-10-14-12;/h1-3,7-8,12,14H,4-6,9-11H2;1H
InChIKey
GYFFVVPNOUQUTN-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CCOc1ccccc1.Cl
Isomeric Smiles
N1C(CCOc2ccccc2)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8042706
LogD (pH = 7.4)
-0.2113681
Log P
2.4212642
Molar Refractivity
61.9232
Polarizability
24.71737
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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