Chemical ID: 3996788

c1ccc(c(c1)NC(=O)CN)Br
Chemical ID:
3996788
Name [?]:
2-amino-N-(2-bromophenyl)-acetamide
SMILES [?]:
c1ccc(c(c1)NC(=O)CN)Br
InChi [?]:
InChI=1/C8H9BrN2O/c9-6-3-1-2-4-7(6)11-8(12)5-10/h1-4H,5,10H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,10,4,5,8,12,11,7,9/rA:12nCCCCCCNCOCNBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s4;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9BrN2O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.30237
Area:341.92
Solvation:-2.24563
Coulombic:-32.8459
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:229.074
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.97
LogP (Chemaxon):0.61

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Descriptor Annotations

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