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Chemical ID: 4964435
Chemical ID:
4964435
Name [?]:
4-aminonaphthalene-1,2-dione
SMILES [?]:
c1ccc2c(c1)C(=CC(=O)C2=O)N
InChi [?]:
InChI=1/C10H7NO2/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5H,11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,8,5,4,7,9,11,13,10,12/rA:13nCCCCCCCCCOCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s4s9;d11;s7;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.50265 |
Area: | 324.0 |
Solvation: | -2.59736 |
Coulombic: | -34.2677 |
Bond Count [?]
All: | 14 |
Single: | 8 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 173.168 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.95 |
LogP (Chemaxon): | 0.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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