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Chemical ID: 7655938
Chemical ID:
7655938
Name [?]:
None
SMILES [?]:
CC(C)N1CCC(CC1)NC(=O)Cn2c(c(c(n2)C(F)(F)F)Cl)C3CC3
InChi [?]:
InChI=1/C17H24ClF3N4O/c1-10(2)24-7-5-12(6-8-24)22-13(26)9-25-15(11-3-4-11)14(18)16(23-25)17(19,20)21/h10-12H,3-9H2,1-2H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,3,25,26,6,8,5,9,13,2,24,7,11,16,15,17,19,23,20,21,22,10,18,4,14,12/E:(1,2)(3,4)(5,6)(7,8)(19,20,21)/rA:26nCCCNCCCCCNCOCNCCCNCFFFClCCC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;s10;d11;s11;s13;s14;d15;s16;s14d17;s17;s19;s19;s19;s16;s15;s24;s24s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24ClF3N4O |
All Atoms: | 50 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7738 |
Area: | 574.368 |
Solvation: | -3.5854 |
Coulombic: | -49.5282 |
Bond Count [?]
All: | 28 |
Single: | 25 |
Double: | 3 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.87 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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