Molecule

ID:20732

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₇N₃O₂
Molecular Mass
317.42588
Exact Mass
317.21032712
Charge
0
InChI
InChI=1S/C18H27N3O2/c1-15(22)20-9-11-21(12-10-20)17-4-6-18(7-5-17)23-14-16-3-2-8-19-13-16/h4-7,16,19H,2-3,8-14H2,1H3
InChIKey
BHWOTWUNJJOCQQ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCN(CC1)c1ccc(cc1)OCC1CCCNC1
Isomeric Smiles
N1(C(=O)C)CCN(c2ccc(OCC3CNCCC3)cc2)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.0910537
LogD (pH = 7.4)
-1.4209144
Log P
1.143548
Molar Refractivity
92.1467
Polarizability
35.518143
Polar Surface Area
44.81
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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