Molecule

ID:127717

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₅N₃O
Molecular Mass
371.4748
Exact Mass
371.19976244
Charge
0
InChI
InChI=1S/C24H25N3O/c28-18-14-20-7-5-15-26(25-19-20)16-6-17-27-23-10-3-1-8-21(23)12-13-22-9-2-4-11-24(22)27/h1-5,7-13,15,19,28H,6,14,16-18H2
InChIKey
ZINSSHRARDCSFF-UHFFFAOYSA-N
Canonic Smiles
OCCC1=CC=CN(N=C1)CCCN1c2ccccc2C=Cc2c1cccc2
Isomeric Smiles
OCCC1=CC=CN(N=C1)CCCN1c2ccccc2C=Cc2ccccc12
Calculated Properties
JChem
Acid pKa
15.916973
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.264086
LogD (pH = 7.4)
3.3997047
Log P
3.4766865
Molar Refractivity
118.1724
Polarizability
43.645626
Polar Surface Area
39.07
Rotatable Bonds
6
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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