Chemical ID: 7221545

CC(c1nc2c3ccccc3ncn2n1)n4cc(cn4)[N+](=O)[O-]
Chemical ID:
7221545
Name [?]:
None
SMILES [?]:
CC(c1nc2c3ccccc3ncn2n1)n4cc(cn4)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H11N7O2/c1-9(19-7-10(6-16-19)21(22)23)13-17-14-11-4-2-3-5-12(11)15-8-20(14)18-13/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,7,10,19,17,13,2,18,6,11,3,5,12,20,4,15,16,14,21,22,23/E:(22,23)/CRV:21.5/rA:23cCCCNCCCCCCCNCNNNCCCNN+OO-/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s11;d12;s5s13;d3s14;s2;s16;d17;s18;s16d19;s18;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11N7O2
All Atoms:34
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:4.91371
Area:495.151
Solvation:-7.46505
Coulombic:-34.8845
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:309.283
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.19
LogP (Chemaxon):2.95

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Descriptor Annotations

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