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Chemical ID: 4089921
Chemical ID:
4089921
Name [?]:
None
SMILES [?]:
CC12C=CC(O1)(C3C2C(=O)N(C3=O)c4ccc(cc4)OC)C
InChi [?]:
InChI=1/C17H17NO4/c1-16-8-9-17(2,22-16)13-12(16)14(19)18(15(13)20)10-4-6-11(21-3)7-5-10/h4-9,12-13H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,21,15,19,16,18,3,4,14,17,8,7,9,12,2,5,11,10,13,20,6/E:(1,2)(4,5)(6,7)(8,9)(12,13)(14,15)(16,17)(19,20)/rA:22cCCCCCOCCCONCOCCCCCCOCC/rB:s1;s2;d3;s4;s2s5;s5;s2s7;s8;d9;s9;s7s11;d12;s11;s14;d15;s16;d17;d14s18;s17;s20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 7.28425 |
Area: | 463.715 |
Solvation: | -4.30861 |
Coulombic: | -39.0081 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 299.321 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.81 |
LogP (Chemaxon): | 0.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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