Chemical ID: 4585662

c1ccc2c(c1)nc3n2C(=O)C(=O)N3
Chemical ID:
4585662
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc3n2C(=O)C(=O)N3
InChi [?]:
InChI=1/C9H5N3O2/c13-7-8(14)12-6-4-2-1-3-5(6)10-9(12)11-7/h1-4H,(H,10,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,12,10,8,7,14,9,13,11/rA:14nCCCCCCNCNCOCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;d10;s10;d12;s8s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H5N3O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.31575
Area:331.807
Solvation:-1.97942
Coulombic:-46.2405
Bond Count [?]
All:16
Single:10
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:187.155
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-0.09
LogP (Chemaxon):1.4

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Descriptor Annotations

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