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Chemical ID: 6500187
Chemical ID:
6500187
Name [?]:
N-(5-methoxy-2-oxo-indolin-3-ylidene)aminopyridine-3-carboxamide
SMILES [?]:
COc1ccc2c(c1)C(=NNC(=O)c3cccnc3)C(=O)N2
InChi [?]:
InChI=1/C15H12N4O3/c1-22-10-4-5-12-11(7-10)13(15(21)17-12)18-19-14(20)9-3-2-6-16-8-9/h2-8H,1H3,(H,19,20)(H,17,18,21)
InChi Info:
AuxInfo=1/1/N:1,16,15,4,5,17,8,19,14,3,7,6,9,12,20,18,22,10,11,13,21,2/rA:22nCOCCCCCCCNNCOCCCCNCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s9;d20;s6s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12N4O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.56555 |
Area: | 486.348 |
Solvation: | -5.59316 |
Coulombic: | -51.1438 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.281 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.52 |
LogP (Chemaxon): | 1.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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