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Chemical ID: 5847889
Chemical ID:
5847889
Name [?]:
None
SMILES [?]:
CCCCCC(=O)N1c2ccccc2N=C3CC(CC(=C3C1c4ccccc4F)O)c5ccccc5
InChi [?]:
InChI=1/C31H31FN2O2/c1-2-3-5-18-29(36)34-27-17-11-10-16-25(27)33-26-19-22(21-12-6-4-7-13-21)20-28(35)30(26)31(34)23-14-8-9-15-24(23)32/h4,6-17,22,31,35H,2-3,5,18-20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,34,4,33,35,25,26,12,11,32,36,24,27,13,10,5,17,19,31,18,23,28,14,16,9,20,6,21,22,29,15,8,30,7/E:(6,7)(12,13)/rA:36cCCCCCCONCCCCCCNCCCCCCCCCCCCCFOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;d15;s16;s17;s18;s19;s16d20;s8s21;s22;s23;d24;s25;d26;d23s27;s28;s20;s18;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H31FN2O2 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 13.3552 |
Area: | 690.672 |
Solvation: | -3.91162 |
Coulombic: | -44.6018 |
Bond Count [?]
All: | 40 |
Single: | 28 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 482.589 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.88 |
LogP (Chemaxon): | 6.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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