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Chemical ID: 6636991
Chemical ID:
6636991
Name [?]:
N-(5-bromo-1-methyl-2-oxo-indolin-3-ylidene)amino-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)NN=C2c3cc(ccc3N(C2=O)C)Br
InChi [?]:
InChI=1/C17H14BrN3O2/c1-10-4-3-5-11(8-10)16(22)20-19-15-13-9-12(18)6-7-14(13)21(2)17(15)23/h3-9H,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,22,4,3,5,16,17,7,14,2,6,15,13,18,12,8,20,23,11,10,19,9,21/rA:23nCCCCCCCCONNCCCCCCCNCOCBr/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s18;s12s19;d20;s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14BrN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.128 |
Area: | 517.333 |
Solvation: | -3.80531 |
Coulombic: | -37.7365 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 372.216 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.24 |
LogP (Chemaxon): | 3.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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