Chemical ID: 6595831

CN(C)C(=O)c1coc2c1nc3ccccc3n2
Chemical ID:
6595831
Name [?]:
None
SMILES [?]:
CN(C)C(=O)c1coc2c1nc3ccccc3n2
InChi [?]:
InChI=1/C13H11N3O2/c1-16(2)13(17)8-7-18-12-11(8)14-9-5-3-4-6-10(9)15-12/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,15,13,16,7,6,12,17,10,9,4,11,18,2,5,8/E:(1,2)/rA:18nCNCCOCCOCCNCCCCCCN/rB:s1;s2;s2;d4;s4;d6;s7;s8;s6s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11N3O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.17739
Area:406.398
Solvation:-2.98255
Coulombic:-36.2425
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:241.245
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.77
LogP (Chemaxon):1.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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