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Chemical ID: 3969781
Chemical ID:
3969781
Name [?]:
4-phenylazophenol
SMILES [?]:
c1ccc(cc1)N=Nc2ccc(cc2)O
InChi [?]:
InChI=1/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,14,11,13,4,9,12,7,8,15/E:(2,3)(4,5)(6,7)(8,9)/rA:15nCCCCCCNNCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.61876 |
Area: | 358.616 |
Solvation: | -2.34664 |
Coulombic: | -21.3125 |
Bond Count [?]
All: | 16 |
Single: | 9 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 198.221 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.73 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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