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Chemical ID: 6659796
Chemical ID:
6659796
Name [?]:
4-(4-amino-3-methyl-phenyl)aminophenol
SMILES [?]:
Cc1cc(ccc1N)Nc2ccc(cc2)O
InChi [?]:
InChI=1/C13H14N2O/c1-9-8-11(4-7-13(9)14)15-10-2-5-12(16)6-3-10/h2-8,15-16H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,15,5,12,14,6,3,2,10,4,13,7,8,9,16/E:(2,3)(5,6)/rA:16nCCCCCCCNNCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.72554 |
Area: | 395.561 |
Solvation: | -2.16348 |
Coulombic: | -44.1785 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 214.263 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 3 |
XLogP: | 1.39 |
LogP (Chemaxon): | 2.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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