Molecule
ID:16869
General Information
Molecular Formula
C₇H₁₅N₃O
Molecular Mass
157.2135
Exact Mass
157.12151212
Charge
0
InChI
InChI=1S/C7H15N3O/c1-9-2-4-10(5-3-9)7(11)6-8/h2-6,8H2,1H3
InChIKey
ANHJTNKMQWWMDJ-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)N1CCN(CC1)C
Isomeric Smiles
N1(CCN(CC1)C)C(=O)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.374738
LogD (pH = 7.4)
-2.5551424
Log P
-1.6599464
Molar Refractivity
43.6691
Polarizability
17.160337
Polar Surface Area
49.57
Rotatable Bonds
1
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
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Related Proteins
No Data Available
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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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