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Chemical ID: 7379798
Chemical ID:
7379798
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc3n2c(=O)cc([nH]3)O
InChi [?]:
InChI=1/C10H7N3O2/c14-8-5-9(15)13-7-4-2-1-3-6(7)11-10(13)12-8/h1-5,14H,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,5,4,13,10,8,7,14,9,15,11/rA:15nCCCCCCNCNCOCCNO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;d10;s10;d12;s8s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7N3O2 |
All Atoms: | 22 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.96888 |
Area: | 345.354 |
Solvation: | -2.66496 |
Coulombic: | -48.9676 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 201.182 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.2 |
LogP (Chemaxon): | 1.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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