Chemical ID: 6648706

Cc1ccccc1NCC(=O)O
Chemical ID:
6648706
Name [?]:
2-(o-tolylamino)acetic acid
SMILES [?]:
Cc1ccccc1NCC(=O)O
InChi [?]:
InChI=1/C9H11NO2/c1-7-4-2-3-5-8(7)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,9,2,7,10,8,11,12/E:(11,12)/rA:12nCCCCCCCNCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.40526
Area:338.245
Solvation:-2.05088
Coulombic:-39.196
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:165.189
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.28
LogP (Chemaxon):0.8

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Descriptor Annotations

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