Molecule

ID:45921

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₇NO
Molecular Mass
261.40238
Exact Mass
261.20926449
Charge
0
InChI
InChI=1S/C17H27NO/c1-16(2,3)12-7-8-15(19-13-10-18-11-13)14(9-12)17(4,5)6/h7-9,13,18H,10-11H2,1-6H3
InChIKey
RWCMNENISZVCRZ-UHFFFAOYSA-N
Canonic Smiles
CC(c1cc(ccc1OC1CNC1)C(C)(C)C)(C)C
Isomeric Smiles
c1(c(OC2CNC2)ccc(c1)C(C)(C)C)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5686233
LogD (pH = 7.4)
3.2127082
Log P
4.429526
Molar Refractivity
80.2786
Polarizability
31.93739
Polar Surface Area
21.26
Rotatable Bonds
4
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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