Molecule

ID:35653

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₇N₃
Molecular Mass
331.53858
Exact Mass
331.2987482
Charge
0
InChI
InChI=1S/C21H37N3/c1-4-7-15-24-16-8-10-20-17-19(11-12-21(20)24)18-22-13-9-14-23(5-2)6-3/h11-12,17,22H,4-10,13-16,18H2,1-3H3
InChIKey
YWPRAKNWNJNTJD-UHFFFAOYSA-N
Canonic Smiles
CCCCN1CCCc2c1ccc(c2)CNCCCN(CC)CC
Isomeric Smiles
c12N(CCCc1cc(cc2)CNCCCN(CC)CC)CCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6503758
LogD (pH = 7.4)
0.7332171
Log P
4.240215
Molar Refractivity
107.9005
Polarizability
41.404293
Polar Surface Area
18.51
Rotatable Bonds
11
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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