Chemical ID: 4740754

c1cc(ccc1c2nnnn2c3cnccn3)Cl
Chemical ID:
4740754
Name [?]:
2-[5-(4-chlorophenyl)tetrazol-1-yl]pyrazine
SMILES [?]:
c1cc(ccc1c2nnnn2c3cnccn3)Cl
InChi [?]:
InChI=1/C11H7ClN6/c12-9-3-1-8(2-4-9)11-15-16-17-18(11)10-7-13-5-6-14-10/h1-7H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,15,16,13,6,3,12,7,18,14,17,8,9,10,11/E:(1,2)(3,4)/rA:18nCCCCCCCNNNNCCNCCNCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s11;s12;d13;s14;d15;d12s16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7ClN6
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.67519
Area:416.836
Solvation:-1.74571
Coulombic:-17.3921
Bond Count [?]
All:20
Single:12
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:258.666
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.87
LogP (Chemaxon):1.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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