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Chemical ID: 4734195
Chemical ID:
4734195
Name [?]:
None
SMILES [?]:
Cc1c(c2c(n1O)ccc3c2non3)C(=O)C
InChi [?]:
InChI=1/C11H9N3O3/c1-5-9(6(2)15)10-8(14(5)16)4-3-7-11(10)13-17-12-7/h3-4,16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,9,8,2,15,10,5,3,4,11,14,12,6,16,7,13/rA:17nCCCCCNOCCCCNONCOC/rB:s1;d2;s3;d4;s2s5;s6;s5;d8;s9;s4s10;d11;s12;d10s13;s3;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9N3O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.80926 |
Area: | 386.065 |
Solvation: | -3.84237 |
Coulombic: | -21.9357 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 231.208 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.85 |
LogP (Chemaxon): | 0.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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