Chemical ID: 4170791

c1ccc2c(c1)c3c([nH]2)-c4c(non4)CC3
Chemical ID:
4170791
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)-c4c(non4)CC3
InChi [?]:
InChI=1/C12H9N3O/c1-2-4-9-7(3-1)8-5-6-10-12(11(8)13-9)15-16-14-10/h1-4,13H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,16,15,5,7,4,11,8,10,9,12,14,13/rA:16nCCCCCCCCNCCNONCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;d11;s12;d10s13;s11;s7s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9N3O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.36452
Area:364.358
Solvation:-1.74445
Coulombic:-14.3074
Bond Count [?]
All:19
Single:13
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:211.219
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.87
LogP (Chemaxon):2.49

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Descriptor Annotations

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