Chemical ID: 4965333

c1cc(ccc1NCC(=O)O)Cl
Chemical ID:
4965333
Name [?]:
2-(4-chlorophenyl)aminoacetic acid
SMILES [?]:
c1cc(ccc1NCC(=O)O)Cl
InChi [?]:
InChI=1/C8H8ClNO2/c9-6-1-3-7(4-2-6)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,8,3,6,9,12,7,10,11/E:(1,2)(3,4)(11,12)/rA:12nCCCCCCNCCOOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8ClNO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.84952
Area:356.958
Solvation:-2.07443
Coulombic:-39.3261
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:185.607
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.67
LogP (Chemaxon):0.43

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Descriptor Annotations

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