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Chemical ID: 5587731
Chemical ID:
5587731
Name [?]:
2-bromo-N-(5-bromo-1-methyl-2-oxo-indolin-3-ylidene)amino-benzamide
SMILES [?]:
CN1c2ccc(cc2C(=NNC(=O)c3ccccc3Br)C1=O)Br
InChi [?]:
InChI=1/C16H11Br2N3O2/c1-21-13-7-6-9(17)8-11(13)14(16(21)23)19-20-15(22)10-4-2-3-5-12(10)18/h2-8H,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,16,17,15,18,5,4,7,6,14,8,19,3,9,12,21,23,20,10,11,2,13,22/rA:23nCNCCCCCCCNNCOCCCCCCBrCOBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s2s9;d21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11Br2N3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.86219 |
Area: | 518.666 |
Solvation: | -4.10446 |
Coulombic: | -37.1419 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 437.086 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.6 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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