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Chemical ID: 5016884
Chemical ID:
5016884
Name [?]:
2-dimethylamino-2,3-diphenyl-propanoic acid
SMILES [?]:
CN(C)C(Cc1ccccc1)(c2ccccc2)C(=O)O
InChi [?]:
InChI=1/C17H19NO2/c1-18(2)17(16(19)20,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,9,15,8,10,14,16,7,11,13,17,5,6,12,18,4,2,19,20/E:(1,2)(5,6)(7,8)(9,10)(11,12)(19,20)/rA:20cCNCCCCCCCCCCCCCCCCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s4;s12;d13;s14;d15;d12s16;s4;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.44776 |
Area: | 424.682 |
Solvation: | -2.1693 |
Coulombic: | -36.9303 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 269.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.98 |
LogP (Chemaxon): | 1.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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