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Chemical ID: 7618102
Chemical ID:
7618102
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3cccc4c3c5c2c(ccc5cc4)[N+](=O)[O-]
InChi [?]:
InChI=1/C20H11NO2/c22-21(23)17-11-10-13-9-8-12-4-3-7-15-14-5-1-2-6-16(14)20(17)19(13)18(12)15/h1-11H
InChi Info:
AuxInfo=1/0/N:1,2,9,10,6,3,8,20,19,17,16,11,18,5,7,4,15,12,13,14,21,22,23/E:(22,23)/CRV:21.5/rA:23nCCCCCCCCCCCCCCCCCCCCN+OO-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;s9;d10;s7s11;d12;d4s13;s14;d15;s16;s13d17;s18;s11d19;s15;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H11NO2 |
All Atoms: | 34 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 4.82766 |
Area: | 432.128 |
Solvation: | -5.97555 |
Coulombic: | -16.0786 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.18 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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