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Chemical ID: 7001042
Chemical ID:
7001042
Name [?]:
1-[(4-chlorophenyl)methyl]-2-ethyl-benzoimidazole
SMILES [?]:
CCc1nc2ccccc2n1Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C16H15ClN2/c1-2-16-18-14-5-3-4-6-15(14)19(16)11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,8,6,9,14,18,15,17,12,13,16,5,10,3,19,4,11/E:(7,8)(9,10)/rA:19nCCCNCCCCCCNCCCCCCCCl/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClN2 |
All Atoms: | 34 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.65087 |
Area: | 455.148 |
Solvation: | -1.72783 |
Coulombic: | -14.2487 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 270.756 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.44 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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