Molecule

ID:124794

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈BrClN₂
Molecular Mass
305.64172
Exact Mass
304.03418827
Charge
0
InChI
InChI=1S/C12H17BrN2.ClH/c13-11-3-1-10(2-4-11)9-15-7-5-12(14)6-8-15;/h1-4,12H,5-9,14H2;1H
InChIKey
HLABLTIONMNODX-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)Cc1ccc(cc1)Br.Cl
Isomeric Smiles
N1(Cc2ccc(Br)cc2)CCC(CC1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0082726
LogD (pH = 7.4)
-0.8451007
Log P
1.894573
Molar Refractivity
67.6053
Polarizability
26.383453
Polar Surface Area
29.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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