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Chemical ID: 5815162
Chemical ID:
5815162
Name [?]:
5-(4-fluorophenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one
SMILES [?]:
Cc1c(c2ccccc2[nH]1)CCNC3=CC(=O)CC(C3)c4ccc(cc4)F
InChi [?]:
InChI=1/C23H23FN2O/c1-15-21(22-4-2-3-5-23(22)26-15)10-11-25-19-12-17(13-20(27)14-19)16-6-8-18(24)9-7-16/h2-9,14,17,25-26H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,5,8,22,26,23,25,11,12,20,18,15,2,21,19,24,14,16,3,4,9,27,13,10,17/E:(6,7)(8,9)/rA:27cCCCCCCCCCNCCNCCCOCCCCCCCCCF/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;s11;s12;s13;d14;s15;d16;s16;s18;s14s19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23FN2O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9886 |
Area: | 590.627 |
Solvation: | -3.77712 |
Coulombic: | -34.7198 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 362.44 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.91 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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