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Chemical ID: 5284815
Chemical ID:
5284815
Name [?]:
2-chloro-1-(2,2,4-trimethyl-1-quinolyl)-propan-1-one
SMILES [?]:
CC1=CC(N(c2c1cccc2)C(=O)C(C)Cl)(C)C
InChi [?]:
InChI=1/C15H18ClNO/c1-10-9-15(3,4)17(14(18)11(2)16)13-8-6-5-7-12(10)13/h5-9,11H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,15,17,18,9,10,8,11,3,2,14,7,6,12,4,16,5,13/E:(3,4)/rA:18cCCCCNCCCCCCCOCCClCC/rB:s1;d2;s3;s4;s5;s2s6;d7;s8;d9;d6s10;s5;d12;s12;s14;s14;s4;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18ClNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.0303 |
Area: | 421.819 |
Solvation: | -1.51516 |
Coulombic: | -18.6225 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 263.762 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.23 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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