Molecule

ID:55014

General Information
Structure
Molecular Formula
C₁₇H₂₂ClNO
Molecular Mass
291.81568
Exact Mass
291.13899201
Charge
0
InChI
InChI=1S/C17H21NO.ClH/c1-17(2,14-6-4-3-5-7-14)15-8-10-16(11-9-15)19-13-12-18;/h3-11H,12-13,18H2,1-2H3;1H
InChIKey
HTTQZYJSFAMGOK-UHFFFAOYSA-N
Canonic Smiles
NCCOc1ccc(cc1)C(c1ccccc1)(C)C.Cl
Isomeric Smiles
C(c1ccc(cc1)OCCN)(c1ccccc1)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7358531
LogD (pH = 7.4)
1.8414913
Log P
3.6974509
Molar Refractivity
89.7263
Polarizability
31.314491
Polar Surface Area
35.25
Rotatable Bonds
5
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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