Molecule

ID:34985

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO
Molecular Mass
229.31746
Exact Mass
229.14666423
Charge
0
InChI
InChI=1S/C15H19NO/c1-11(16-13-7-3-4-8-13)15-10-12-6-2-5-9-14(12)17-15/h2,5-6,9-11,13,16H,3-4,7-8H2,1H3
InChIKey
JHRWDISKRNAPNZ-UHFFFAOYSA-N
Canonic Smiles
CC(c1cc2c(o1)cccc2)NC1CCCC1
Isomeric Smiles
c1(oc2c(c1)cccc2)C(NC1CCCC1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.26008356
LogD (pH = 7.4)
1.5540959
Log P
3.3819962
Molar Refractivity
68.8566
Polarizability
28.460943
Polar Surface Area
25.17
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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