Molecule
ID:33178
General Information
Molecular Formula
C₇H₁₅N₃O
Molecular Mass
157.2135
Exact Mass
157.12151212
Charge
0
InChI
InChI=1S/C7H15N3O/c8-10-7(11)5-6-1-3-9-4-2-6/h6,9H,1-5,8H2,(H,10,11)
InChIKey
BMNYOKDCUXZGCL-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CC1CCNCC1
Isomeric Smiles
C(=O)(NN)CC1CCNCC1
Calculated Properties
JChem
Acid pKa
13.263477
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-4.258527
LogD (pH = 7.4)
-3.5903692
Log P
-1.0345846
Molar Refractivity
43.9567
Polarizability
17.062204
Polar Surface Area
67.15
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
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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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