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Chemical ID: 7712322
Chemical ID:
7712322
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2=C(NC(=O)CC2)c3ccccc3
InChi [?]:
InChI=1/C17H15NO/c19-16-12-11-15(13-7-3-1-4-8-13)17(18-16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,2,6,16,18,3,5,15,19,13,12,4,14,7,10,8,9,11/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCCCCCCCCNCOCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s10;s7s12;s8;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15NO |
All Atoms: | 34 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.53626 |
Area: | 421.651 |
Solvation: | -2.00501 |
Coulombic: | -22.902 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.41 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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