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Chemical ID: 6494501
Chemical ID:
6494501
Name [?]:
None
SMILES [?]:
c1cc2=CC=CNc2c3c1=CC=CN3
InChi [?]:
InChI=1/C12H10N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8,13-14H
InChi Info:
AuxInfo=1/0/N:5,12,4,11,2,1,6,13,3,10,8,9,7,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:14nCCCCCCNCCCCCCN/rB:d1;s2;d3;s4;d5;s6;s3s7;d8;s1s9;d10;s11;d12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10N2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.77642 |
Area: | 336.496 |
Solvation: | -1.63599 |
Coulombic: | -23.0497 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 182.221 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.6 |
LogP (Chemaxon): | 1.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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