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Chemical ID: 4491682
Chemical ID:
4491682
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CN2C(c3c(=O)c4cc(ccc4oc3C2=O)F)c5ccccc5F
InChi [?]:
InChI=1/C24H15F2NO3/c25-15-10-11-19-17(12-15)22(28)20-21(16-8-4-5-9-18(16)26)27(24(29)23(20)30-19)13-14-6-2-1-3-7-14/h1-12,21H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,26,27,3,5,25,28,16,17,14,7,4,15,24,13,29,18,10,9,11,20,21,23,30,8,12,22,19/E:(2,3)(6,7)/rA:30cCCCCCCCNCCCOCCCCCCOCCOFCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s15;s9;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H15F2NO3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.09628 |
Area: | 565.917 |
Solvation: | -5.05163 |
Coulombic: | -43.1543 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 403.378 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.45 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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