Molecule

ID:18085

General Information
Structure
MolImage
Molecular Formula
C₃₀H₄₄N₂
Molecular Mass
432.68376
Exact Mass
432.35044942
Charge
0
InChI
InChI=1S/C30H44N2/c1-3-9-27(10-4-1)13-7-15-29-17-21-31(22-18-29)25-26-32-23-19-30(20-24-32)16-8-14-28-11-5-2-6-12-28/h1-6,9-12,29-30H,7-8,13-26H2
InChIKey
ZXRJUECFRJEVQG-UHFFFAOYSA-N
Canonic Smiles
C(Cc1ccccc1)CC1CCN(CC1)CCN1CCC(CC1)CCCc1ccccc1
Isomeric Smiles
C(CN1CCC(CC1)CCCc1ccccc1)N1CCC(CC1)CCCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3917239
LogD (pH = 7.4)
5.0135407
Log P
7.4186044
Molar Refractivity
139.1844
Polarizability
54.65815
Polar Surface Area
6.48
Rotatable Bonds
11
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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