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Chemical ID: 4919783
Chemical ID:
4919783
Name [?]:
5-(3-furyl)-3-methyl-2,6-diazabicyclo[5.4.0]undeca-2,8,10,12-tetraene
SMILES [?]:
CC1=Nc2ccccc2NC(C1)c3ccoc3
InChi [?]:
InChI=1/C14H14N2O/c1-10-8-14(11-6-7-17-9-11)16-13-5-3-2-4-12(13)15-10/h2-7,9,14,16H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,5,8,14,15,12,17,2,13,4,9,11,3,10,16/rA:17cCCNCCCCCCNCCCCCOC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;s10;s2s11;s11;s13;d14;s15;d13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.44376 |
Area: | 402.319 |
Solvation: | -2.61422 |
Coulombic: | -23.5451 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 226.274 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.53 |
LogP (Chemaxon): | 3.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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