Chemical ID: 7221478

c1ccc2c(c1)c3nc(nn3cn2)CCn4ccc(n4)[N+](=O)[O-]
Chemical ID:
7221478
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3nc(nn3cn2)CCn4ccc(n4)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H11N7O2/c22-21(23)13-6-8-19(18-13)7-5-12-16-14-10-3-1-2-4-11(10)15-9-20(14)17-12/h1-4,6,8-9H,5,7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,14,18,15,17,12,5,4,9,19,7,13,8,10,20,16,11,21,22,23/E:(22,23)/CRV:21.5/rA:23nCCCCCCCNCNNCNCCNCCCNN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s11;s4d12;s9;s14;s15;s16;d17;s18;s16d19;s19;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11N7O2
All Atoms:34
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.31006
Area:509.569
Solvation:-8.42915
Coulombic:-35.9594
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:309.283
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.82
LogP (Chemaxon):3.3

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Descriptor Annotations

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