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Chemical ID: 7659505
Chemical ID:
7659505
Name [?]:
None
SMILES [?]:
c1ccc(cc1)NC(=O)c2ccccn2
InChi [?]:
InChI=1/C12H10N2O/c15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10/h1-9H,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,3,5,11,14,4,10,8,15,7,9/E:(2,3)(6,7)/rA:15nCCCCCCNCOCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10N2O |
All Atoms: | 25 |
Heavy Atoms: | 15 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.64078 |
Area: | 375.701 |
Solvation: | -1.75175 |
Coulombic: | -29.1184 |
Bond Count [?]
All: | 16 |
Single: | 9 |
Double: | 7 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.83 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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