Molecule

ID:21131

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO
Molecular Mass
283.83674
Exact Mass
283.17029214
Charge
0
InChI
InChI=1S/C16H25NO.ClH/c1-2-6-15(7-3-1)9-5-12-18-13-10-16-8-4-11-17-14-16;/h1-3,6-7,16-17H,4-5,8-14H2;1H
InChIKey
KXPNVNYGZUNBCX-UHFFFAOYSA-N
Canonic Smiles
C(CCc1ccccc1)OCCC1CCCNC1.Cl
Isomeric Smiles
N1CC(CCOCCCc2ccccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.10314236
LogD (pH = 7.4)
0.2729005
Log P
3.13118
Molar Refractivity
76.5565
Polarizability
30.192587
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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