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Chemical ID: 7590555
Chemical ID:
7590555
Name [?]:
None
SMILES [?]:
c1cc2ccc3c(ccc4c3c2c5c1ccc6c5c4c(cc6)[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
InChI=1/C22H10N2O4/c25-23(26)16-10-8-15-21-14(16)7-5-12-3-1-11-2-4-13-6-9-17(24(27)28)22(15)20(13)18(11)19(12)21/h1-10H
InChi Info:
AuxInfo=1/0/N:1,15,2,16,4,22,5,9,21,8,14,3,17,6,10,7,20,13,12,18,11,19,26,23,27,28,24,25/E:(25,26)(27,28)/CRV:23.5,24.5/rA:28nCCCCCCCCCCCCCCCCCCCCCCN+OO-N+OO-/rB:s1;d2;s3;d4;s5;s6;d7;s8;d9;d6s10;s3s11;d12;d1s13;s14;d15;s16;s13s17;s10d18;s19;d20;d17s21;s20;d23;s23;s7;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H10N2O4 |
All Atoms: | 38 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 1.42431 |
Area: | 488.554 |
Solvation: | -10.7895 |
Coulombic: | -27.2645 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.54 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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