Molecule

ID:24486

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉N₃
Molecular Mass
323.47506
Exact Mass
323.23614794
Charge
0
InChI
InChI=1S/C21H29N3/c1-22-13-8-14-23-15-17-24(18-16-23)21(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,21-22H,8,13-18H2,1H3
InChIKey
NUNBULLXHNJBTR-UHFFFAOYSA-N
Canonic Smiles
CNCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
Isomeric Smiles
N1(C(c2ccccc2)c2ccccc2)CCN(CC1)CCCNC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.6918483
LogD (pH = 7.4)
-0.5328185
Log P
3.2415588
Molar Refractivity
102.5234
Polarizability
40.44738
Polar Surface Area
18.51
Rotatable Bonds
7
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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