Chemical ID: 6534165

c1cc2cccc3c2c(c1)c(=C(C#N)C#N)[nH]3
Chemical ID:
6534165
Name [?]:
None
SMILES [?]:
c1cc2cccc3c2c(c1)c(=C(C#N)C#N)[nH]3
InChi [?]:
InChI=1/C14H7N3/c15-7-10(8-16)14-11-5-1-3-9-4-2-6-12(17-14)13(9)11/h1-6,17H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,6,13,15,3,12,9,7,8,11,14,16,17/E:(7,8)(15,16)/rA:17nCCCCCCCCCCCCCNCNN/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;d11;s12;t13;s12;t15;s7s11;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H7N3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.24168
Area:393.763
Solvation:-1.60241
Coulombic:-19.2897
Bond Count [?]
All:19
Single:11
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:217.226
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.4
LogP (Chemaxon):3.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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