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Chemical ID: 4806647
Chemical ID:
4806647
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCO)F)F
InChi [?]:
InChI=1/C20H15F2NO4/c21-11-6-7-15-13(10-11)18(25)16-17(12-4-1-2-5-14(12)22)23(8-3-9-24)20(26)19(16)27-15/h1-2,4-7,10,17,24H,3,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,23,6,3,14,15,22,24,12,13,5,11,4,16,8,7,9,18,19,26,27,21,25,10,20,17/rA:27cCCCCCCCCCOCCCCCCOCCONCCCOFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d8s17;s18;d19;s7s19;s21;s22;s23;s24;s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15F2NO4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.11532 |
Area: | 536.251 |
Solvation: | -6.29096 |
Coulombic: | -57.2604 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 371.334 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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