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Chemical ID: 6404772
Chemical ID:
6404772
Name [?]:
N-(3,4-dichlorophenyl)-2,2,3,3-tetramethyl-cyclopropane-1-carboxamide
SMILES [?]:
CC1(C(C1(C)C)C(=O)Nc2ccc(c(c2)Cl)Cl)C
InChi [?]:
InChI=1/C14H17Cl2NO/c1-13(2)11(14(13,3)4)12(18)17-8-5-6-9(15)10(16)7-8/h5-7,11H,1-4H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,5,6,11,12,15,10,13,14,3,7,2,4,17,16,9,8/E:(1,2,3,4)(13,14)/rA:18nCCCCCCCONCCCCCCClClC/rB:s1;s2;s2s3;s4;s4;s3;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s13;s2;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17Cl2NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96943 |
Area: | 463.103 |
Solvation: | -1.60813 |
Coulombic: | -22.518 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 286.196 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.95 |
LogP (Chemaxon): | 4.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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