Molecule

ID:12568

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO₂
Molecular Mass
305.7992
Exact Mass
305.11825657
Charge
0
InChI
InChI=1S/C17H19NO2.ClH/c1-19-15-10-13-8-9-18-17(12-6-4-3-5-7-12)14(13)11-16(15)20-2;/h3-7,10-11,17-18H,8-9H2,1-2H3;1H
InChIKey
XCBCMNDFDVDUDF-UHFFFAOYSA-N
Canonic Smiles
COc1cc2c(cc1OC)CCNC2c1ccccc1.Cl
Isomeric Smiles
c1(cc2c(cc1OC)CCNC2c1ccccc1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.22716081
LogD (pH = 7.4)
1.8965186
Log P
3.0403807
Molar Refractivity
79.8248
Polarizability
31.209322
Polar Surface Area
30.49
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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