Molecule

ID:66956

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉NO
Molecular Mass
253.33886
Exact Mass
253.14666423
Charge
0
InChI
InChI=1S/C17H19NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/t16-/m1/s1
InChIKey
OGCGXUGBDJGFFY-MRXNPFEDSA-N
Canonic Smiles
OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1
Isomeric Smiles
N1[C@H](CCC1)C(O)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
12.901563
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.35732114
LogD (pH = 7.4)
0.039381664
Log P
2.8763463
Molar Refractivity
77.1829
Polarizability
30.58561
Polar Surface Area
32.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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