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Chemical ID: 6427134
Chemical ID:
6427134
Name [?]:
2-(phenyl-(p-tolyl)amino)benzoic acid
SMILES [?]:
Cc1ccc(cc1)N(c2ccccc2)c3ccccc3C(=O)O
InChi [?]:
InChI=1/C20H17NO2/c1-15-11-13-17(14-12-15)21(16-7-3-2-4-8-16)19-10-6-5-9-18(19)20(22)23/h2-14H,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,12,11,13,18,17,10,14,19,16,3,7,4,6,2,9,5,20,15,21,8,22,23/E:(3,4)(7,8)(11,12)(13,14)(22,23)/rA:23nCCCCCCCNCCCCCCCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s8;s15;d16;s17;d18;d15s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.97524 |
Area: | 484.229 |
Solvation: | -2.13049 |
Coulombic: | -36.4975 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 303.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.41 |
LogP (Chemaxon): | 5.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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