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Chemical ID: 4965333
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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