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Chemical ID: 7443099
Chemical ID:
7443099
Name [?]:
1-phenethyltetrazole
SMILES [?]:
c1ccc(cc1)CCn2cnnn2
InChi [?]:
InChI=1/C9H10N4/c1-2-4-9(5-3-1)6-7-13-8-10-11-12-13/h1-5,8H,6-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,7,8,10,4,11,12,13,9/E:(2,3)(4,5)/rA:13nCCCCCCCCNCNNN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;s9d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10N4 |
All Atoms: | 23 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.0801 |
Area: | 352.219 |
Solvation: | -1.72538 |
Coulombic: | -5.36935 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 174.203 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 0.88 |
LogP (Chemaxon): | 1.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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