Molecule

ID:128862

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₇NO
Molecular Mass
285.42378
Exact Mass
285.20926449
Charge
0
InChI
InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1
InChIKey
VOKSWYLNZZRQPF-GDIGMMSISA-N
Canonic Smiles
CC(=CCN1CC[C@@]2([C@H]([C@H]1Cc1c2cc(cc1)O)C)C)C
Isomeric Smiles
Oc1ccc2c(c1)[C@]1([C@H]([C@H](N(CC1)CC=C(C)C)C2)C)C
Calculated Properties
JChem
Acid pKa
7.5909266
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0965846
LogD (pH = 7.4)
2.504246
Log P
2.9029462
Molar Refractivity
89.7993
Polarizability
34.580894
Polar Surface Area
23.47
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation