Molecule

ID:125537

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₂N₂O
Molecular Mass
328.49158
Exact Mass
328.25146365
Charge
0
InChI
InChI=1S/C21H32N2O/c1-2-3-7-18-12-16-22(17-13-18)14-6-15-23-20-9-5-4-8-19(20)10-11-21(23)24/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3
InChIKey
PHMGZAICAOYEAF-UHFFFAOYSA-N
Canonic Smiles
CCCCC1CCN(CC1)CCCN1C(=O)CCc2c1cccc2
Isomeric Smiles
O=C1N(c2ccccc2CC1)CCCN1CCC(CC1)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6756388
LogD (pH = 7.4)
2.2115235
Log P
3.9303803
Molar Refractivity
100.6799
Polarizability
39.24012
Polar Surface Area
23.55
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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