Molecule

ID:129368

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₁NO₂
Molecular Mass
305.45494
Exact Mass
305.23547924
Charge
0
InChI
InChI=1S/C19H31NO2/c1-18-6-5-14-13(15(18)8-12(21)9-18)4-3-11-7-17-20-10-16(22-17)19(11,14)2/h11-17,20-21H,3-10H2,1-2H3/t11-,12+,13-,14+,15+,16+,17+,18-,19+/m1/s1
InChIKey
HJCSQOSWSRPBOU-XTXNWKRWSA-N
Canonic Smiles
O[C@H]1C[C@@H]2[C@](C1)(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)[C@@H]1CN[C@H](C2)O1
Isomeric Smiles
O[C@H]1C[C@@H]2[C@](C)(CC[C@@H]3[C@@]4(C)[C@@H]5CN[C@H](C[C@H]4CC[C@@H]23)O5)C1
Calculated Properties
JChem
Acid pKa
18.562674
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.539306
LogD (pH = 7.4)
0.89878297
Log P
2.5189943
Molar Refractivity
85.7838
Polarizability
34.916836
Polar Surface Area
41.49
Rotatable Bonds
0
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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