Molecule

ID:35666

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₉N₃O
Molecular Mass
303.44236
Exact Mass
303.23106256
Charge
0
InChI
InChI=1S/C18H29N3O/c1-20-8-2-4-17-14-16(5-6-18(17)20)15-19-7-3-9-21-10-12-22-13-11-21/h5-6,14,19H,2-4,7-13,15H2,1H3
InChIKey
CEHVXQPNJXXVMQ-UHFFFAOYSA-N
Canonic Smiles
CN1CCCc2c1ccc(c2)CNCCCN1CCOCC1
Isomeric Smiles
c12N(CCCc1cc(cc2)CNCCCN1CCOCC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.9926536
LogD (pH = 7.4)
-0.5459908
Log P
1.9841995
Molar Refractivity
93.6042
Polarizability
35.78699
Polar Surface Area
27.74
Rotatable Bonds
6
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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