Molecule

ID:30523

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃O
Molecular Mass
207.27218
Exact Mass
207.13716218
Charge
0
InChI
InChI=1S/C11H17N3O/c12-8-11(10-2-1-3-13-9-10)14-4-6-15-7-5-14/h1-3,9,11H,4-8,12H2
InChIKey
QSKWIAMIMXGSJN-UHFFFAOYSA-N
Canonic Smiles
NCC(c1cccnc1)N1CCOCC1
Isomeric Smiles
N1(C(c2cnccc2)CN)CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.1558256
LogD (pH = 7.4)
-1.7235763
Log P
-0.25874704
Molar Refractivity
59.1383
Polarizability
23.490456
Polar Surface Area
51.38
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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