Molecule

ID:20698

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO
Molecular Mass
253.7677
Exact Mass
253.12334195
Charge
0
InChI
InChI=1S/C14H20ClNO/c1-10-6-13(7-11(2)14(10)15)17-9-12-4-3-5-16-8-12/h6-7,12,16H,3-5,8-9H2,1-2H3
InChIKey
DPVFPTSVZDUJOZ-UHFFFAOYSA-N
Canonic Smiles
Clc1c(C)cc(cc1C)OCC1CCCNC1
Isomeric Smiles
c1(c(cc(cc1C)OCC1CNCCC1)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.37049046
LogD (pH = 7.4)
1.0280777
Log P
3.5923777
Molar Refractivity
72.284
Polarizability
28.233948
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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