Chemical ID: 5546786

CC(C(=O)O)N1c2ccc(cc2C(=O)C1=O)Br
Chemical ID:
5546786
Name [?]:
2-(5-bromo-2,3-dioxo-indolin-1-yl)propanoic acid
SMILES [?]:
CC(C(=O)O)N1c2ccc(cc2C(=O)C1=O)Br
InChi [?]:
InChI=1/C11H8BrNO4/c1-5(11(16)17)13-8-3-2-6(12)4-7(8)9(14)10(13)15/h2-5H,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,9,8,11,2,10,12,7,13,15,3,17,6,14,16,4,5/E:(16,17)/rA:17cCCCOONCCCCCCCOCOBr/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;d10;d7s11;s12;d13;s6s13;d15;s10;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8BrNO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.53554
Area:405.845
Solvation:-3.61058
Coulombic:-52.9708
Bond Count [?]
All:18
Single:12
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:298.09
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.43
LogP (Chemaxon):1.75

Name Annotations

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Descriptor Annotations

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