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Chemical ID: 5837386
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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