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Chemical ID: 5198393
Chemical ID:
5198393
Name [?]:
1-aminoindane-2-carboxylic acid
SMILES [?]:
c1ccc2c(c1)CC(C2N)C(=O)O
InChi [?]:
InChI=1/C10H11NO2/c11-9-7-4-2-1-3-6(7)5-8(9)10(12)13/h1-4,8-9H,5,11H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,5,4,8,9,11,10,12,13/E:(12,13)/rA:13cCCCCCCCCCNCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;s8;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.40437 |
Area: | 336.166 |
Solvation: | -1.99978 |
Coulombic: | -39.2491 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 177.2 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.15 |
LogP (Chemaxon): | -1.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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