Molecule

ID:65905

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇N
Molecular Mass
199.29148
Exact Mass
199.13609955
Charge
0
InChI
InChI=1S/C14H17N/c1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15/h4-9H,15H2,1-3H3
InChIKey
SETIVQDQMWTAMK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1C(C)(C)C)cccc2
Isomeric Smiles
c1ccc2c(c1)c(c(cc2)N)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6674945
LogD (pH = 7.4)
3.678708
Log P
3.6788528
Molar Refractivity
65.8745
Polarizability
26.420618
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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