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Chemical ID: 7667865
Chemical ID:
7667865
Name [?]:
None
SMILES [?]:
CC1(CC(=O)CC(C1NC(=O)Nc2ccc(cc2)Cl)(C)C)C
InChi [?]:
InChI=1/C17H23ClN2O2/c1-16(2)9-13(21)10-17(3,4)14(16)20-15(22)19-12-7-5-11(18)6-8-12/h5-8,14H,9-10H2,1-4H3,(H2,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,22,20,21,15,17,14,18,3,6,16,13,4,8,10,2,7,19,12,9,5,11/E:(1,2,3,4)(5,6)(7,8)(9,10)(16,17)/rA:22nCCCCOCCCNCONCCCCCCClCCC/rB:s1;s2;s3;d4;s4;s6;s2s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s7;s7;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H23ClN2O2 |
All Atoms: | 45 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.97357 |
Area: | 510.433 |
Solvation: | -2.78726 |
Coulombic: | -42.9227 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.1 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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