Molecule

ID:99506

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈BNO₂
Molecular Mass
195.06642
Exact Mass
195.14305922
Charge
0
InChI
InChI=1S/C10H18BNO2/c1-9(2)10(3,4)14-11(13-9)7-5-6-8-12/h5-7H2,1-4H3
InChIKey
LVMSRWXPZLRTIC-UHFFFAOYSA-N
Canonic Smiles
N#CCCCB1OC(C(O1)(C)C)(C)C
Isomeric Smiles
O1B(OC(C1(C)C)(C)C)CCCC#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0364
LogD (pH = 7.4)
2.0364
Log P
2.0364
Molar Refractivity
50.4658
Polarizability
21.630016
Polar Surface Area
42.25
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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