Chemical ID: 6556122

c1ccc(cc1)Oc2ccccc2N
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

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Experimental Annotations

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Descriptor Annotations

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