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Chemical ID: 5037944
Chemical ID:
5037944
Name [?]:
4-aminonaphthalene-2-carboxylic acid
SMILES [?]:
c1ccc2c(c1)cc(cc2N)C(=O)O
InChi [?]:
InChI=1/C11H9NO2/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-6H,12H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,9,5,8,4,10,12,11,13,14/E:(13,14)/rA:14nCCCCCCCCCCNCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s8;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.97553 |
Area: | 348.738 |
Solvation: | -1.74292 |
Coulombic: | -45.2666 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 187.195 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 2.09 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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