Chemical ID: 4734195

Cc1c(c2c(n1O)ccc3c2non3)C(=O)C
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

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Descriptor Annotations

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