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Chemical ID: 5620419
Chemical ID:
5620419
Name [?]:
2-(8-methyl-7,10-dioxabicyclo[4.4.0]deca-2,4,8,11-tetraen-9-yl)pyridine
SMILES [?]:
CC1=C(Oc2ccccc2O1)c3ccccn3
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
InChi Info:
AuxInfo=1/0/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: | C14H11NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.77248 |
Area: | 385.028 |
Solvation: | -1.85322 |
Coulombic: | -23.3958 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 225.243 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.94 |
LogP (Chemaxon): | 1.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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