Chemical ID: 5837386

c1cc(cc(c1)Cl)C(C(=O)O)N
Chemical ID:
5837386
Name [?]:
2-amino-2-(3-chlorophenyl)-acetic acid
SMILES [?]:
c1cc(cc(c1)Cl)C(C(=O)O)N
InChi [?]:
InChI=1/C8H8ClNO2/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,3,5,8,9,7,12,10,11/E:(11,12)/rA:12cCCCCCCClCCOON/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s8;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8ClNO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:6.63291
Area:345.543
Solvation:-2.00567
Coulombic:-40.7615
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:185.607
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:-1.15
LogP (Chemaxon):-0.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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