Molecule

ID:48636

General Information
Structure
Molecular Formula
C₁₄H₂₁BrN₂
Molecular Mass
297.23394
Exact Mass
296.08881068
Charge
0
InChI
InChI=1S/C14H21BrN2/c1-3-17(13-7-5-4-6-8-13)14-11(2)9-12(15)10-16-14/h9-10,13H,3-8H2,1-2H3
InChIKey
GSTRNRCUHKNWLY-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ncc(cc1C)Br)C1CCCCC1
Isomeric Smiles
c1(ncc(cc1C)Br)N(C1CCCCC1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.7596254
LogD (pH = 7.4)
4.8942842
Log P
4.8963275
Molar Refractivity
77.07
Polarizability
29.04927
Polar Surface Area
16.13
Rotatable Bonds
3
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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