Molecule

ID:47274

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO
Molecular Mass
283.83674
Exact Mass
283.17029214
Charge
0
InChI
InChI=1S/C16H25NO.ClH/c1-4-16(2,3)13-5-7-14(8-6-13)18-15-9-11-17-12-10-15;/h5-8,15,17H,4,9-12H2,1-3H3;1H
InChIKey
DAXFDKXCQFQPQG-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)OC1CCNCC1)(C)C.Cl
Isomeric Smiles
C(c1ccc(OC2CCNCC2)cc1)(CC)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.24155897
LogD (pH = 7.4)
1.0858775
Log P
3.4489577
Molar Refractivity
75.9445
Polarizability
30.172588
Polar Surface Area
21.26
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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