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Chemical ID: 7715247
Chemical ID:
7715247
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
InChi [?]:
InChI=1/C19H17NO/c21-18-13-17(12-11-15-7-3-1-4-8-15)20-19(14-18)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,19,2,6,18,20,3,5,17,21,7,8,10,13,4,16,9,11,14,15,12/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCCCCCCCCCCCOCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;s11;d13;s9s14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO |
All Atoms: | 38 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.1896 |
Area: | 498.682 |
Solvation: | -2.27747 |
Coulombic: | -22.1827 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.32 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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