Molecule

ID:52602

General Information
Structure
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-11(13-5-3-2-4-6-13)14-8-7-12(9-14)10-15/h2-6,11-12,15H,7-10H2,1H3/t11-,12-/m1/s1
InChIKey
RQTYGPRJDFTUGU-VXGBXAGGSA-N
Canonic Smiles
OC[C@@H]1CCN(C1)[C@@H](c1ccccc1)C
Isomeric Smiles
[C@H]1(CO)CN([C@@H](c2ccccc2)C)CC1
Calculated Properties
JChem
Acid pKa
15.42924
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7110251
LogD (pH = 7.4)
-0.54528385
Log P
1.706866
Molar Refractivity
62.862
Polarizability
24.654484
Polar Surface Area
23.47
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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