Molecule
ID:121433
General Information
Molecular Formula
C₁₄H₂₁N₃O
Molecular Mass
247.33604
Exact Mass
247.16846231
Charge
0
InChI
InChI=1S/C14H21N3O/c1-11(2)14(18)17-9-7-16(8-10-17)13-6-4-3-5-12(13)15/h3-6,11H,7-10,15H2,1-2H3
InChIKey
ZMTQMFWVXZMCGU-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(CC1)c1ccccc1N)C(C)C
Isomeric Smiles
N1(C(=O)C(C)C)CCN(c2c(N)cccc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5516316
LogD (pH = 7.4)
1.5696648
Log P
1.5698998
Molar Refractivity
74.7097
Polarizability
27.819584
Polar Surface Area
49.57
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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