Chemical ID: 5198393

c1ccc2c(c1)CC(C2N)C(=O)O
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

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