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Chemical ID: 6939270
Chemical ID:
6939270
Name [?]:
N-(4-hydroxyphenyl)-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2ccc(cc2)O
InChi [?]:
InChI=1/C14H13NO2/c1-10-3-2-4-11(9-10)14(17)15-12-5-7-13(16)8-6-12/h2-9,16H,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,12,16,13,15,7,2,6,11,14,8,10,17,9/E:(5,6)(7,8)/rA:17nCCCCCCCCONCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13NO2 |
All Atoms: | 30 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.84302 |
Area: | 416.437 |
Solvation: | -2.56791 |
Coulombic: | -38.7125 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 227.259 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.6 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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