Chemical ID: 4948139

c1ccc2c(c1)nc3c(=N)[nH][nH]c3n2
Chemical ID:
4948139
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc3c(=N)[nH][nH]c3n2
InChi [?]:
InChI=1/C9H7N5/c10-8-7-9(14-13-8)12-6-4-2-1-3-5(6)11-7/h1-4H,(H3,10,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,8,9,13,10,7,14,11,12/rA:14nCCCCCCNCCNNNCN/rB:s1;d2;s3;s4;d1s5;d5;s7;s8;w9;s9;s11;d8s12;d4s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7N5
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.47412
Area:335.363
Solvation:-1.90995
Coulombic:-42.1587
Bond Count [?]
All:16
Single:10
Double:6
Rotors:0
Chiral:1
Rigid Segments:1
Chemical Properties
Molecular Weight:185.186
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.36
LogP (Chemaxon):0.98

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Descriptor Annotations

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