Molecule
ID:90220
General Information
Molecular Formula
C₁₂H₁₉N
Molecular Mass
177.28596
Exact Mass
177.15174961
Charge
0
InChI
InChI=1S/C12H19N/c1-9(2)12-7-6-11(13(4)5)8-10(12)3/h6-9H,1-5H3
InChIKey
QMYBNZNUWPHNIV-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(c(c1)C)C(C)C)C
Isomeric Smiles
N(c1cc(c(cc1)C(C)C)C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.563469
LogD (pH = 7.4)
3.8348825
Log P
3.8397202
Molar Refractivity
59.7186
Polarizability
22.41274
Polar Surface Area
3.24
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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