Chemical ID: 5780107

CC1=C(Oc2ccccc2O1)c3cccc[nH+]3
Chemical ID:
5780107
Name [?]:
2-(8-methyl-7,10-dioxabicyclo[4.4.0]deca-2,4,8,11-tetraen-9-yl)-1H-pyridine
SMILES [?]:
CC1=C(Oc2ccccc2O1)c3cccc[nH+]3
InChi [?]:
InChI=1/C14H11NO2/c1-10-14(11-6-4-5-9-15-11)17-13-8-3-2-7-12(13)16-10/h2-9H,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,8,7,14,15,13,9,6,16,2,12,10,5,3,17,11,4/rA:17nCCCOCCCCCCOCCCCCN+/rB:s1;d2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s3;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12NO2+
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-23.0011
Area:389.499
Solvation:-32.7386
Coulombic:-8.88862
Bond Count [?]
All:19
Single:12
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:226.251
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.94
LogP (Chemaxon):1.25

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Descriptor Annotations

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