Chemical ID: 7221440

c1ccc2c(c1)c3nc(nn3cn2)c4ccccc4[N+](=O)[O-]
Chemical ID:
7221440
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3nc(nn3cn2)c4ccccc4[N+](=O)[O-]
InChi [?]:
InChI=1/C15H9N5O2/c21-20(22)13-8-4-2-6-11(13)14-17-15-10-5-1-3-7-12(10)16-9-19(15)18-14/h1-9H
InChi Info:
AuxInfo=1/0/N:1,16,2,17,6,15,3,18,12,5,14,4,19,9,7,13,8,10,11,20,21,22/E:(21,22)/CRV:20.5/rA:22nCCCCCCCNCNNCNCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s11;s4d12;s9;s14;d15;s16;d17;d14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9N5O2
All Atoms:31
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:3.90844
Area:457.183
Solvation:-7.52113
Coulombic:-29.1162
Bond Count [?]
All:25
Single:15
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:291.264
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.0
LogP (Chemaxon):3.5

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Descriptor Annotations

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