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Chemical ID: 7088395
Chemical ID:
7088395
Name [?]:
2-(4-chlorophenyl)-2-(m-tolylamino)acetic acid
SMILES [?]:
Cc1cccc(c1)NC(c2ccc(cc2)Cl)C(=O)O
InChi [?]:
InChI=1/C15H14ClNO2/c1-10-3-2-4-13(9-10)17-14(15(18)19)11-5-7-12(16)8-6-11/h2-9,14,17H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,11,15,12,14,7,2,10,13,6,9,17,16,8,18,19/E:(5,6)(7,8)(18,19)/rA:19cCCCCCCCNCCCCCCCClCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s9;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClNO2 |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.30959 |
Area: | 470.658 |
Solvation: | -2.45686 |
Coulombic: | -41.7242 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 275.73 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.68 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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