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Chemical ID: 4432806
Chemical ID:
4432806
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)N2C(=O)C3C4CCC(C4)C3C2=O
InChi [?]:
InChI=1/C17H19NO3/c1-2-21-13-7-5-12(6-8-13)18-16(19)14-10-3-4-11(9-10)15(14)17(18)20/h5-8,10-11,14-15H,2-4,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,16,6,8,5,9,18,14,17,7,4,13,19,11,20,10,12,21,3/E:(3,4)(5,6)(7,8)(10,11)(14,15)(16,17)(19,20)/rA:21cCCOCCCCCCNCOCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s14s17;s13s17;s10s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 7.49725 |
Area: | 452.635 |
Solvation: | -3.81863 |
Coulombic: | -31.1363 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 285.338 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.57 |
LogP (Chemaxon): | 2.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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