Molecule

ID:38345

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁N
Molecular Mass
155.28044
Exact Mass
155.16739968
Charge
0
InChI
InChI=1S/C10H21N/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6,11H2,1-3H3/t8-,9-,10-/m1/s1
InChIKey
RBMUAGDCCJDQLE-OPRDCNLKSA-N
Canonic Smiles
C[C@@H]1CC[C@@H]([C@@H](C1)N)C(C)C
Isomeric Smiles
C1[C@@H]([C@@H](C[C@@H](C1)C)N)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.47082028
LogD (pH = 7.4)
-0.1966136
Log P
2.5573914
Molar Refractivity
49.1028
Polarizability
19.986317
Polar Surface Area
26.02
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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