Molecule

ID:126823

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO
Molecular Mass
297.43448
Exact Mass
297.20926449
Charge
0
InChI
InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
InChIKey
NLBUEDSBXVNAPB-DFQSSKMNSA-N
Canonic Smiles
Oc1ccc2c(c1)[C@]13CCCC[C@H]3[C@@H](C2)N(CC1)CC1CC1
Isomeric Smiles
Oc1ccc2c(c1)[C@@]13[C@H]([C@H](N(CC1)CC1CC1)C2)CCCC3
Calculated Properties
JChem
Acid pKa
9.966308
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6396484
LogD (pH = 7.4)
1.1493914
Log P
3.2500973
Molar Refractivity
90.0229
Polarizability
35.1866
Polar Surface Area
23.47
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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