Molecule

ID:12348

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅N₃
Molecular Mass
271.4005
Exact Mass
271.20484782
Charge
0
InChI
InChI=1S/C17H25N3/c1-17(2,3)16-11-12-10-14(4-5-15(12)20-16)19-13-6-8-18-9-7-13/h4-5,10-11,13,18-20H,6-9H2,1-3H3
InChIKey
QMXLOQJSSNSBNU-UHFFFAOYSA-N
Canonic Smiles
CC(c1[nH]c2c(c1)cc(cc2)NC1CCNCC1)(C)C
Isomeric Smiles
[nH]1c(cc2cc(ccc12)NC1CCNCC1)C(C)(C)C
Calculated Properties
JChem
Acid pKa
17.143929
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
-0.5655798
LogD (pH = 7.4)
0.1580799
Log P
2.6536014
Molar Refractivity
86.0381
Polarizability
34.045723
Polar Surface Area
39.85
Rotatable Bonds
3
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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