Molecule

ID:68901

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄BrClN₂
Molecular Mass
277.58856
Exact Mass
276.00288814
Charge
0
InChI
InChI=1S/C10H13BrN2.ClH/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H
InChIKey
YDVSFRZKQMQPJD-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)N1CCNCC1.Cl
Isomeric Smiles
N1(CCNCC1)c1ccc(cc1)Br.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6911781
LogD (pH = 7.4)
0.8260864
Log P
2.3141139
Molar Refractivity
58.8648
Polarizability
22.360622
Polar Surface Area
15.27
Rotatable Bonds
1
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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