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Chemical ID: 5276055
Chemical ID:
5276055
Name [?]:
None
SMILES [?]:
CN(C)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccccc4F
InChi [?]:
InChI=1/C22H21FN2O3/c1-24(2)12-7-13-25-19(14-8-3-5-10-16(14)23)18-20(26)15-9-4-6-11-17(15)28-21(18)22(25)27/h3-6,8-11,19H,7,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,24,14,25,15,5,23,13,26,16,4,6,22,12,27,17,9,8,10,19,20,28,2,7,11,21,18/E:(1,2)/rA:28cCNCCCCNCCCOCCCCCCOCCOCCCCCCF/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s8;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21FN2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.959 |
Area: | 577.816 |
Solvation: | -4.48641 |
Coulombic: | -44.0759 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 380.412 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.79 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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