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Chemical ID: 7418000
Chemical ID:
7418000
Name [?]:
None
SMILES [?]:
CN(C)CCCN1C(c2c(=O)c3ccc4ccccc4c3oc2C1=O)c5ccccc5F
InChi [?]:
InChI=1/C26H23FN2O3/c1-28(2)14-7-15-29-22(18-10-5-6-11-20(18)27)21-23(30)19-13-12-16-8-3-4-9-17(16)24(19)32-25(21)26(29)31/h3-6,8-13,22H,7,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,17,18,28,29,5,16,19,27,30,14,13,4,6,15,20,26,12,31,9,8,10,21,23,24,32,2,7,11,25,22/E:(1,2)/rA:32cCNCCCCNCCCOCCCCCCCCCCOCCOCCCCCCF/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;s21;d9s22;s7s23;d24;s8;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H23FN2O3 |
All Atoms: | 55 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.4626 |
Area: | 636.726 |
Solvation: | -4.45553 |
Coulombic: | -45.1474 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 430.471 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.06 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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