Molecule

ID:125910

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇N
Molecular Mass
235.32358
Exact Mass
235.13609955
Charge
0
InChI
InChI=1S/C17H17N/c1-18-10-9-12-6-4-8-15-14-7-3-2-5-13(14)11-16(18)17(12)15/h2-8,16H,9-11H2,1H3
InChIKey
BZKUYNBAFQJRDM-UHFFFAOYSA-N
Canonic Smiles
CN1CCc2c3C1Cc1ccccc1-c3ccc2
Isomeric Smiles
c12c(cccc1)CC1c3c(cccc23)CCN1C
Calculated Properties
JChem
LogD (pH = 7.4)
2.81
LogD (pH = 5.5)
1.04
Log P
3.70
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
8.23
Polar Surface Area
3.24
Polarizability
27.59
Molar Refractivity
76.03
LOG S
-3.53
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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