Molecule

ID:2901

General Information
Structure
Molecular Formula
C₁₈H₃₇NO₂
Molecular Mass
299.49188
Exact Mass
299.28242943
Charge
0
InChI
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14-/t17-,18+/m1/s1
InChIKey
WWUZIQQURGPMPG-BXDGKWANSA-N
Canonic Smiles
CCCCCCCCCCCCC/C=C\[C@@H]([C@@H](CO)N)O
Isomeric Smiles
C(O)[C@@H](N)[C@@H](O)/C=C\CCCCCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
2.75
LogD (pH = 5.5)
1.61
Log P
4.57
Rotatable Bonds
15
H Donor
3
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.23
Polar Surface Area
66.48
Polarizability
38.82
Molar Refractivity
91.89
LOG S
-6.64
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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