Molecule

ID:58741

General Information
Structure
Molecular Formula
C₁₄H₁₇NO
Molecular Mass
215.29088
Exact Mass
215.13101417
Charge
0
InChI
InChI=1S/C14H17NO/c1-3-6-12-7-4-8-13-9-5-10-15(11(2)16)14(12)13/h3-4,7-8H,1,5-6,9-10H2,2H3
InChIKey
DPYZFCRPNKXLFZ-UHFFFAOYSA-N
Canonic Smiles
C=CCc1cccc2c1N(CCC2)C(=O)C
Isomeric Smiles
N1(c2c(cccc2CC=C)CCC1)C(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.65805
LogD (pH = 7.4)
2.65805
Log P
2.65805
Molar Refractivity
66.2348
Polarizability
25.296104
Polar Surface Area
20.31
Rotatable Bonds
2
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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