Molecule

ID:13477

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅N₃
Molecular Mass
247.3791
Exact Mass
247.20484782
Charge
0
InChI
InChI=1S/C15H25N3/c1-14(2)9-13(10-15(3,4)18-14)17-11-12-5-7-16-8-6-12/h5-8,13,17-18H,9-11H2,1-4H3
InChIKey
YTCVAFLCWSUARN-UHFFFAOYSA-N
Canonic Smiles
CC1(C)CC(NCc2ccncc2)CC(N1)(C)C
Isomeric Smiles
n1ccc(cc1)CNC1CC(NC(C1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.235418
LogD (pH = 7.4)
-2.2206328
Log P
1.3519838
Molar Refractivity
75.4195
Polarizability
30.201504
Polar Surface Area
36.95
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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