Molecule

ID:90676

General Information
Structure
MolImage
Molecular Formula
C₆H₁₈BN
Molecular Mass
115.02482
Exact Mass
115.15322998
Charge
0
InChI
InChI=1S/C6H15N.BH3/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H3
InChIKey
KDKNBGWKECQREO-UHFFFAOYSA-N
Canonic Smiles
CCN(CC)CC.B
Isomeric Smiles
N(CC)(CC)CC.B
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.2147028
LogD (pH = 7.4)
-1.4690653
Log P
1.2605933
Molar Refractivity
34.2339
Polarizability
13.342089
Polar Surface Area
3.24
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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