Chemical ID: 7443099

c1ccc(cc1)CCn2cnnn2
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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