2-Bromoacetamide

2-Bromoacetamide

Cat. No.: PI683578

Product Details Other Identifiers Computed Properties
CAS 683-57-8
Synonyms 2-Bromoacetamide
Purity 96%
Molecular Formula C2H4BrNO
Molecular Weight 137.96
Molar Refractivity 22.51
Pubchem ID 69632
InChI Key JUIKUQOUMZUFQT-UHFFFAOYSA-N
MDL Number MFCD00008025
Hydrogen Bond Donor Count 1.0
Hydrogen Bond Acceptor Count 1.0
Rotatable Bond Count 1
Topological Polar Surface Area 43.09 Ų
Heavy Atom Count 5
Aromatic Heavy Atoms Number 0
Fraction Csp3 0.5
Log Po/w (iLOGP) 0.58
Log Po/w (XLOGP3) -0.52
Log Po/w (WLOGP) -0.13
Log Po/w (MLOGP) -0.14
Log Po/w (SILICOS-IT) 0.11
Consensus Log Po/w -0.02
GI Absorption High
BBB Permeant No
P-gp Substrate No
CYP1A2Inhibitor No
CYP2C19Inhibitor No
CYP2C9Inhibitor No
CYP2D6Inhibitor No
CYP3A4Inhibitor No
Log Kp (Skin Permeation) -7.51 cm/s
Lipinski 0.0
Ghose None
Veber 0.0
Egan 0.0
Muegge 2.0
Bioavailability Score 0.55
PAINS 0.0 alert
Brenk 1.0 alert
Leadlikeness 1.0
Synthetic Accessibility 1.56

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