Molecule

ID:21177

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO
Molecular Mass
253.7677
Exact Mass
253.12334195
Charge
0
InChI
InChI=1S/C14H19NO.ClH/c1-2-12-4-5-14(8-13(12)3-1)16-10-11-6-7-15-9-11;/h4-5,8,11,15H,1-3,6-7,9-10H2;1H
InChIKey
LOKZDIJJIVCLDK-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)COc1ccc2c(c1)CCC2.Cl
Isomeric Smiles
c12c(ccc(c1)OCC1CNCC1)CCC2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.714966
LogD (pH = 7.4)
-0.55635613
Log P
2.5246072
Molar Refractivity
65.677
Polarizability
25.663803
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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