Molecule

ID:70480

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H2,10,11)/t7-/m1/s1
InChIKey
KIYRSYYOVDHSPG-SSDOTTSWSA-N
Canonic Smiles
N[C@H](c1ccccc1)C(=O)N
Isomeric Smiles
C(=O)([C@@H](c1ccccc1)N)N
Calculated Properties
JChem
Acid pKa
16.122173
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.2010598
LogD (pH = 7.4)
-0.5249433
Log P
-0.017988766
Molar Refractivity
42.1835
Polarizability
16.739655
Polar Surface Area
69.11
Rotatable Bonds
2
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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