Molecule

ID:29038

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO
Molecular Mass
255.78358
Exact Mass
255.13899201
Charge
0
InChI
InChI=1S/C14H22ClNO/c1-4-5-6-16-7-8-17-13-9-11(2)14(15)12(3)10-13/h9-10,16H,4-8H2,1-3H3
InChIKey
BQNQINCNONGABR-UHFFFAOYSA-N
Canonic Smiles
CCCCNCCOc1cc(C)c(c(c1)C)Cl
Isomeric Smiles
c1(c(cc(cc1C)OCCNCCCC)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2049598
LogD (pH = 7.4)
2.110102
Log P
4.4059577
Molar Refractivity
74.0064
Polarizability
28.964136
Polar Surface Area
21.26
Rotatable Bonds
7
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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