Chemical ID: 7386115

COC(=O)C=c1c(=O)n2c3ccccc3nc2[nH]1
Chemical ID:
7386115
Name [?]:
None
SMILES [?]:
COC(=O)C=c1c(=O)n2c3ccccc3nc2[nH]1
InChi [?]:
InChI=1/C12H9N3O3/c1-18-10(16)6-8-11(17)15-9-5-3-2-4-7(9)13-12(15)14-8/h2-6H,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,11,5,15,6,10,3,7,17,16,18,9,4,8,2/rA:18nCOCOCCCONCCCCCCNCN/rB:s1;s2;d3;s3;w5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s9d16;s6s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9N3O3
All Atoms:27
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.85075
Area:414.376
Solvation:-2.50864
Coulombic:-53.3722
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:243.218
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.06
LogP (Chemaxon):1.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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