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Chemical ID: 5571583
Chemical ID:
5571583
Name [?]:
1-(4-chlorophenyl)-5-isopropyl-8-methyl-spiro[2.5]octan-4-one
SMILES [?]:
CC1CCC(C(=O)C12CC2c3ccc(cc3)Cl)C(C)C
InChi [?]:
InChI=1/C18H23ClO/c1-11(2)15-9-4-12(3)18(17(15)20)10-16(18)13-5-7-14(19)8-6-13/h5-8,11-12,15-16H,4,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:19,20,1,3,12,16,13,15,4,9,18,2,11,14,5,10,6,8,17,7/E:(1,2)(5,6)(7,8)/rA:20cCCCCCCOCCCCCCCCCClCCC/rB:s1;s2;s3;s4;s5;d6;s2s6;s8;s8s9;s10;s11;d12;s13;d14;d11s15;s14;s5;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23ClO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 10.2193 |
Area: | 471.251 |
Solvation: | -1.56199 |
Coulombic: | -11.2614 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 290.827 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.95 |
LogP (Chemaxon): | 5.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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