Molecule

ID:130224

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇N₃O
Molecular Mass
243.30428
Exact Mass
243.13716218
Charge
0
InChI
InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1
InChIKey
QLOOWOVVZLBYHU-VIFPVBQESA-N
Canonic Smiles
CCc1oc2c(c1)c1c(cc2)cnn1C[C@@H](N)C
Isomeric Smiles
n1cc2ccc3oc(cc3c2n1C[C@@H](N)C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0927935
LogD (pH = 7.4)
-0.44531485
Log P
1.9207821
Molar Refractivity
82.1725
Polarizability
29.661224
Polar Surface Area
56.98
Rotatable Bonds
3
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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