Molecule
ID:119302
General Information
Molecular Formula
C₉H₁₉NO
Molecular Mass
157.25326
Exact Mass
157.14666423
Charge
0
InChI
InChI=1S/C9H19NO/c1-5-10(6-2)7-8-9(3,4)11-8/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKey
UQZHUGUDCDTJNK-MRVPVSSYSA-N
Canonic Smiles
CCN(C[C@H]1OC1(C)C)CC
Isomeric Smiles
O1[C@@H](C1(C)C)CN(CC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.8078208
LogD (pH = 7.4)
-0.2662192
Log P
1.4422036
Molar Refractivity
47.287
Polarizability
18.799707
Polar Surface Area
15.77
Rotatable Bonds
4
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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