Molecule

ID:28702

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₀N₂O
Molecular Mass
326.4757
Exact Mass
326.23581359
Charge
0
InChI
InChI=1S/C21H30N2O/c1-6-23(7-2)20-13-11-19(12-14-20)22-15-18(5)24-21-16(3)9-8-10-17(21)4/h8-14,18,22H,6-7,15H2,1-5H3
InChIKey
NWUWIYLGUPAEQD-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)NCC(Oc1c(C)cccc1C)C)CC
Isomeric Smiles
c1(OC(CNc2ccc(N(CC)CC)cc2)C)c(cccc1C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4204829
LogD (pH = 7.4)
5.021721
Log P
5.355151
Molar Refractivity
105.231
Polarizability
39.34093
Polar Surface Area
24.5
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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