Molecule

ID:119908

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c1-7(2)5-6(8)3-4-9-7/h6H,3-5,8H2,1-2H3
InChIKey
VXCNRARJXVLHLI-UHFFFAOYSA-N
Canonic Smiles
NC1CCOC(C1)(C)C
Isomeric Smiles
C1(OCCC(C1)N)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9929214
LogD (pH = 7.4)
-2.629553
Log P
0.032878924
Molar Refractivity
37.4513
Polarizability
15.112169
Polar Surface Area
35.25
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
Molecule Details
References
Bioactivity
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