Molecule

ID:93009

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-10-9-14-7-6-13(10,2)11-4-3-5-12(15)8-11/h3-5,8,10,14-15H,6-7,9H2,1-2H3/t10-,13-/m0/s1
InChIKey
HXZDAOSDNCHKFE-GWCFXTLKSA-N
Canonic Smiles
Oc1cccc(c1)[C@@]1(C)CCNC[C@@H]1C
Isomeric Smiles
N1CC[C@@](c2cc(ccc2)O)(C)[C@H](C1)C
Calculated Properties
JChem
Acid pKa
9.78171
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.7846997
LogD (pH = 7.4)
-0.17248765
Log P
1.801155
Molar Refractivity
62.4066
Polarizability
24.560488
Polar Surface Area
32.26
Rotatable Bonds
1
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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