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Chemical ID: 4801516
Chemical ID:
4801516
Name [?]:
None
SMILES [?]:
CCCN1C(=O)c2c(c(=O)c3cc(ccc3o2)F)C14c5ccccc5N(C4=O)C
InChi [?]:
InChI=1/C22H17FN2O4/c1-3-10-25-20(27)19-17(18(26)13-11-12(23)8-9-16(13)29-19)22(25)14-6-4-5-7-15(14)24(2)21(22)28/h4-9,11H,3,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,22,23,21,24,14,15,3,12,13,11,20,25,16,8,9,7,5,27,19,18,26,4,10,6,28,17/rA:29cCCCNCOCCCOCCCCCCOFCCCCCCCNCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s13;s4s8;s19;s20;d21;s22;d23;d20s24;s25;s19s26;d27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17FN2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.31182 |
Area: | 554.06 |
Solvation: | -4.53968 |
Coulombic: | -54.495 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 392.38 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.48 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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