Molecule

ID:84969

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉Br₂N
Molecular Mass
313.07256
Exact Mass
310.98842361
Charge
0
InChI
InChI=1S/C10H18BrN.BrH/c1-12-5-4-8-2-3-10(11)6-9(8)7-12;/h8-10H,2-7H2,1H3;1H/t8-,9?,10+;/m1./s1
InChIKey
KCXPJTRPYDCSMF-NKUWADJFSA-N
Canonic Smiles
Br[C@H]1CC[C@H]2C(C1)CN(CC2)C.Br
Isomeric Smiles
N1(CC2[C@@H](CC1)CC[C@@H](C2)Br)C.Br
Calculated Properties
JChem
LogD (pH = 5.5)
-1.179761
LogD (pH = 7.4)
-0.19951087
Log P
2.2713075
Molar Refractivity
56.2541
Polarizability
21.855707
Polar Surface Area
3.24
Rotatable Bonds
0
Lipinski's Rule of Five
true
H Acceptors
1
H Donor
0
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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