Chemical ID: 6493976

Cc1c2c(cc([o+]1)c3ccccc3)CCC2
Chemical ID:
6493976
Name [?]:
2-methyl-4-phenyl-3-oxoniabicyclo[4.3.0]nona-2,4,10-triene
SMILES [?]:
Cc1c2c(cc([o+]1)c3ccccc3)CCC2
InChi [?]:
InChI=1/C15H15O/c1-11-14-9-5-8-13(14)10-15(16-11)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,11,10,12,15,9,13,14,16,5,2,8,4,3,6,7/E:(3,4)(6,7)/CRV:16+1/rA:16nCCCCCCO+CCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;d8s12;s4;s14;s3s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15O+
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-15.6309
Area:390.238
Solvation:-25.3868
Coulombic:18.7658
Bond Count [?]
All:18
Single:12
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:211.279
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.6
LogP (Chemaxon):4.71

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