Chemical ID: 7714532

c1cc(cc(c1)Cl)Nc2c(cccn2)C#N
Chemical ID:
7714532
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Cl)Nc2c(cccn2)C#N
InChi [?]:
InChI=1/C12H8ClN3/c13-10-4-1-5-11(7-10)16-12-9(8-14)3-2-6-15-12/h1-7H,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,12,11,6,2,13,4,15,10,5,3,9,7,16,14,8/rA:16nCCCCCCClNCCCCCNCN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;d10;s11;d12;d9s13;s10;t15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8ClN3
All Atoms:24
Heavy Atoms:16
Chiral Atoms:None
ZAP Information [?]
Total:8.57686
Area:412.103
Solvation:-1.72572
Coulombic:-21.1823
Bond Count [?]
All:17
Single:10
Double:6
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.48
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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