Molecule

ID:66664

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅N
Molecular Mass
209.2863
Exact Mass
209.12044949
Charge
0
InChI
InChI=1S/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2/t15-/m0/s1
InChIKey
PRTRSEDVLBBFJZ-HNNXBMFYSA-N
Canonic Smiles
c1ccc(cc1)[C@@H]1NCCc2c1cccc2
Isomeric Smiles
[C@H]1(NCCc2ccccc12)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.40933284
LogD (pH = 7.4)
1.990015
Log P
3.3557234
Molar Refractivity
66.8984
Polarizability
26.253942
Polar Surface Area
12.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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