Molecule

ID:130687

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄ClNO
Molecular Mass
293.83156
Exact Mass
293.15464207
Charge
0
InChI
InChI=1S/C17H23NO.ClH/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17;/h4-6,11-12,16,19H,1,7-10H2,2-3H3;1H
InChIKey
ZTGMHFIGNYXMJV-UHFFFAOYSA-N
Canonic Smiles
C=CCN1CCC2(C(C1Cc1c2cc(cc1)O)C)C.Cl
Isomeric Smiles
CC1C2Cc3ccc(cc3C1(CCN2CC=C)C)O.Cl
Calculated Properties
JChem
Acid pKa
10.346238
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.30034623
LogD (pH = 7.4)
1.6692182
Log P
3.3593044
Molar Refractivity
79.8438
Polarizability
30.888481
Polar Surface Area
23.47
Rotatable Bonds
2
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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