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Chemical ID: 7079857
Chemical ID:
7079857
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCN(C)C)c4ccccc4F
InChi [?]:
InChI=1/C23H23FN2O3/c1-13-11-16-18(12-14(13)2)29-22-19(21(16)27)20(15-7-5-6-8-17(15)24)26(23(22)28)10-9-25(3)4/h5-8,11-12,20H,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,21,22,25,26,24,27,19,18,3,6,2,7,23,4,28,5,11,14,12,10,16,29,20,15,13,17,9/E:(3,4)/rA:29cCCCCCCCCOCCCOCNCOCCNCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;s19;s20;s20;s14;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23FN2O3 |
All Atoms: | 52 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6587 |
Area: | 593.623 |
Solvation: | -4.18192 |
Coulombic: | -43.9179 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 394.439 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.31 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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