Chemical ID: 6517889

c1cc2cccc-3c2c(c1)-c4c3nnc(n4)O
Chemical ID:
6517889
Name [?]:
None
SMILES [?]:
c1cc2cccc-3c2c(c1)-c4c3nnc(n4)O
InChi [?]:
InChI=1/C13H7N3O/c17-13-14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)15-16-13/h1-6H,(H,14,16,17)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,6,3,9,7,8,11,12,15,16,13,14,17/rA:17nCCCCCCCCCCCCNNCNO/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;s7s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H7N3O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.5572
Area:371.954
Solvation:-1.74164
Coulombic:-30.3775
Bond Count [?]
All:20
Single:12
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:221.214
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.01
LogP (Chemaxon):2.1

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Descriptor Annotations

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