Molecule

ID:48650

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅BrN₂
Molecular Mass
243.1435
Exact Mass
242.04186049
Charge
0
InChI
InChI=1S/C10H15BrN2/c1-3-4-7-13(2)10-6-5-9(11)8-12-10/h5-6,8H,3-4,7H2,1-2H3
InChIKey
VSVLJQIJTPNONS-UHFFFAOYSA-N
Canonic Smiles
CCCCN(c1ccc(cn1)Br)C
Isomeric Smiles
n1c(N(CCCC)C)ccc(c1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4901094
LogD (pH = 7.4)
3.549904
Log P
3.5507264
Molar Refractivity
60.1396
Polarizability
22.52455
Polar Surface Area
16.13
Rotatable Bonds
4
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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