Molecule

ID:62078

General Information
Structure
Molecular Formula
C₁₅H₂₃BrN₂
Molecular Mass
311.26052
Exact Mass
310.10446075
Charge
0
InChI
InChI=1S/C15H23BrN2/c1-12(2)18-9-4-5-13(8-10-18)11-14-6-3-7-15(16)17-14/h3,6-7,12-13H,4-5,8-11H2,1-2H3
InChIKey
DIUMGBUTROKTHS-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(n1)CC1CCCN(CC1)C(C)C
Isomeric Smiles
N1(CCC(Cc2nc(Br)ccc2)CCC1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.28384987
LogD (pH = 7.4)
1.0886365
Log P
3.7543972
Molar Refractivity
81.0274
Polarizability
31.30494
Polar Surface Area
16.13
Rotatable Bonds
3
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
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References
Bioactivity
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