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Chemical ID: 6534165
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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