Chemical ID: 5704060

COc1ccccc1[NH+]=c2cccccc2[O-]
Chemical ID:
5704060
Name [?]:
7-(2-methoxyphenyl)azaniumylidenecyclohepta-1,3,5-trien-1-olate
SMILES [?]:
COc1ccccc1[NH+]=c2cccccc2[O-]
InChi [?]:
InChI=1/C14H13NO2/c1-17-14-10-6-5-8-12(14)15-11-7-3-2-4-9-13(11)16/h2-10H,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,6,5,11,7,15,4,10,8,16,3,9,17,2/rA:17nCOCCCCCCN+CCCCCCCO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s12;d13;s14;s10d15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-12.7389
Area:403.407
Solvation:-22.8241
Coulombic:-44.3775
Bond Count [?]
All:18
Single:11
Double:7
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:227.259
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.0
LogP (Chemaxon):3.58

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