Chemical ID: 7080531

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccccc4F)CCCOC
Chemical ID:
7080531
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccccc4F)CCCOC
InChi [?]:
InChI=1/C22H20FNO4/c1-13-8-9-17-15(12-13)20(25)18-19(14-6-3-4-7-16(14)23)24(10-5-11-27-2)22(26)21(18)28-17/h3-4,6-9,12,19H,5,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,19,20,25,18,21,3,4,24,26,7,2,17,6,22,5,10,16,8,11,13,23,15,9,14,27,12/rA:28cCCCCCCCCOCCOCONCCCCCCCFCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s22;s15;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20FNO4
All Atoms:48
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:8.81283
Area:577.697
Solvation:-5.62959
Coulombic:-46.2775
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:381.397
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.19
LogP (Chemaxon):3.15

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Descriptor Annotations

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