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Chemical ID: 5088145
Chemical ID:
5088145
Name [?]:
7-amino-2-nitro-fluoren-9-one
SMILES [?]:
c1cc-2c(cc1N)C(=O)c3c2ccc(c3)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H8N2O3/c14-7-1-3-9-10-4-2-8(15(17)18)6-12(10)13(16)11(9)5-7/h1-6H,14H2
InChi Info:
AuxInfo=1/0/N:1,13,2,12,5,15,6,14,3,11,4,10,8,7,16,9,17,18/E:(17,18)/CRV:15.5/rA:18nCCCCCCNCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;s3s10;d11;s12;d13;d10s14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8N2O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.54708 |
Area: | 411.007 |
Solvation: | -7.72809 |
Coulombic: | -35.8406 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 240.214 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.45 |
LogP (Chemaxon): | 2.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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