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Chemical ID: 6541114
Chemical ID:
6541114
Name [?]:
3-(2-pyridylimino)indolin-2-one
SMILES [?]:
c1ccc2c(c1)C(=Nc3ccccn3)C(=O)N2
InChi [?]:
InChI=1/C13H9N3O/c17-13-12(16-11-7-3-4-8-14-11)9-5-1-2-6-10(9)15-13/h1-8H,(H,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,11,12,6,3,10,13,5,4,9,7,15,14,17,8,16/rA:17nCCCCCCCNCCCCCNCON/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s11;d12;d9s13;s7;d15;s4s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9N3O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.14525 |
Area: | 385.162 |
Solvation: | -2.48379 |
Coulombic: | -33.7355 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 223.23 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.72 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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