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Chemical ID: 4682579
Chemical ID:
4682579
Name [?]:
1-(3,4,5,6-tetrahydropyridin-2-yl)benzotriazole
SMILES [?]:
c1ccc2c(c1)nnn2C3=NCCCC3
InChi [?]:
InChI=1/C11H12N4/c1-2-6-10-9(5-1)13-14-15(10)11-7-3-4-8-12-11/h1-2,5-6H,3-4,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,14,13,6,3,15,12,5,4,10,11,7,8,9/rA:15nCCCCCCNNNCNCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;d10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.39229 |
Area: | 361.635 |
Solvation: | -1.64859 |
Coulombic: | -10.974 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 200.24 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.36 |
LogP (Chemaxon): | 2.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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