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Chemical ID: 4522756
Chemical ID:
4522756
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3ccccc3N=CN2
InChi [?]:
InChI=1/C13H10N2/c1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-9-14-12/h1-9H,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,6,8,3,11,14,5,7,4,12,15,13/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)/rA:15nCCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s12;d13;s4s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10N2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.27339 |
Area: | 347.632 |
Solvation: | -1.41739 |
Coulombic: | -18.2103 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 194.232 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.26 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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