Chemical ID: 3964691

c1ccc2c(c1)ncc3n2c(=O)on3
Chemical ID:
3964691
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ncc3n2c(=O)on3
InChi [?]:
InChI=1/C9H5N3O2/c13-9-12-7-4-2-1-3-6(7)10-5-8(12)11-14-9/h1-5H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,8,5,4,9,11,7,14,10,12,13/rA:14nCCCCCCNCCNCOON/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s4s9;s10;d11;s11;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H5N3O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.66468
Area:323.601
Solvation:-1.42535
Coulombic:-32.07
Bond Count [?]
All:16
Single:10
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:187.155
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.04
LogP (Chemaxon):1.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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