Molecule

ID:131061

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO
Molecular Mass
217.30676
Exact Mass
217.14666423
Charge
0
InChI
InChI=1S/C14H19NO/c1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13/h3-4,8-9,13,15-16H,5-7H2,1-2H3/t9-,13+,14+/m1/s1
InChIKey
DXESFJJJWBHLJX-IIMNLJJBSA-N
Canonic Smiles
Oc1ccc2c(c1)[C@@]1(C)CCN[C@@H](C2)[C@H]1C
Isomeric Smiles
C[C@@H]1[C@@H]2Cc3ccc(cc3[C@]1(CCN2)C)O
Calculated Properties
JChem
Acid pKa
9.882097
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.686872
LogD (pH = 7.4)
-0.10931383
Log P
1.9431611
Molar Refractivity
65.3864
Polarizability
25.587225
Polar Surface Area
32.26
Rotatable Bonds
0
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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