Chemical ID: 6659796

Cc1cc(ccc1N)Nc2ccc(cc2)O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue