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Chemical ID: 7741654
Chemical ID:
7741654
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)C4CC4
InChi [?]:
InChI=1/C17H19NO3/c19-14-11-17(21-15-4-2-1-3-13(14)15)7-9-18(10-8-17)16(20)12-5-6-12/h1-4,12H,5-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,20,21,12,16,13,15,9,19,5,7,4,17,10,14,8,18,11/E:(5,6)(7,8)(9,10)/rA:21nCCCCCCCOCCOCCNCCCOCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4s10;s10;s12;s13;s14;s10s15;s14;d17;s17;s19;s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO3 |
All Atoms: | 40 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.09226 |
Area: | 458.971 |
Solvation: | -3.38202 |
Coulombic: | -31.6675 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.78 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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