Molecule

ID:36014

General Information
Structure
Molecular Formula
C₁₄H₁₇NO
Molecular Mass
215.29088
Exact Mass
215.13101417
Charge
0
InChI
InChI=1S/C14H17NO/c1-4-7-15-11(3)13(9-16)12-6-5-10(2)8-14(12)15/h5-6,8-9H,4,7H2,1-3H3
InChIKey
BISNZAZKFUYVDT-UHFFFAOYSA-N
Canonic Smiles
CCCn1c2cc(C)ccc2c(c1C)C=O
Isomeric Smiles
c1c(cc2n(c(c(c2c1)C=O)C)CCC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6004994
LogD (pH = 7.4)
3.6004994
Log P
3.6004994
Molar Refractivity
68.0887
Polarizability
26.458246
Polar Surface Area
22.0
Rotatable Bonds
3
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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