Molecule

ID:20027

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO
Molecular Mass
253.7677
Exact Mass
253.12334195
Charge
0
InChI
InChI=1S/C14H20ClNO/c15-13-10-12(16)6-7-14(13)17-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,16H2
InChIKey
PWAKFHYHPKBFEO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)OCCC1CCCCC1
Isomeric Smiles
c1(cc(N)ccc1OCCC1CCCCC1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.0418415
LogD (pH = 7.4)
4.0712037
Log P
4.0715914
Molar Refractivity
72.4494
Polarizability
28.029518
Polar Surface Area
35.25
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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