Chemical ID: 3990228

CC(C)C(C(=O)O)NC(=O)c1ccccc1Br
Chemical ID:
3990228
Name [?]:
2-(2-bromobenzoyl)amino-3-methyl-butanoic acid
SMILES [?]:
CC(C)C(C(=O)O)NC(=O)c1ccccc1Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H14BrNO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.8709
Area:424.816
Solvation:-2.74949
Coulombic:-49.9149
Bond Count [?]
All:17
Single:12
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:300.148
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.79
LogP (Chemaxon):2.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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