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Chemical ID: 5236656
Chemical ID:
5236656
Name [?]:
2-(chloromethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzoimidazole
SMILES [?]:
C1CCC2C(C1)NC(=N2)CCl
InChi [?]:
InChI=1/C8H13ClN2/c9-5-8-10-6-3-1-2-4-7(6)11-8/h6-7H,1-5H2,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,5,4,8,11,7,9/E:(1,2)(3,4)(6,7)(10,11)/rA:11cCCCCCCNCNCCl/rB:s1;s2;s3;s4;s1s5;s5;s7;s4d8;s8;s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H13ClN2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.48801 |
Area: | 322.629 |
Solvation: | -1.57771 |
Coulombic: | -17.4273 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 172.655 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.57 |
LogP (Chemaxon): | 1.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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