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Chemical ID: 6556122
Chemical ID:
6556122
Name [?]:
2-phenoxyaniline
SMILES [?]:
c1ccc(cc1)Oc2ccccc2N
InChi [?]:
InChI=1/C12H11NO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,10,3,5,12,9,4,13,8,14,7/E:(2,3)(6,7)/rA:14nCCCCCCOCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.10257 |
Area: | 352.486 |
Solvation: | -1.70958 |
Coulombic: | -26.8972 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 185.222 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.69 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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