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Chemical ID: 6461352
Chemical ID:
6461352
Name [?]:
N-[(2,6-dichlorophenyl)methyl]cyclopentanamine
SMILES [?]:
c1cc(c(c(c1)Cl)CNC2CCCC2)Cl
InChi [?]:
InChI=1/C12H15Cl2N/c13-11-6-3-7-12(14)10(11)8-15-9-4-1-2-5-9/h3,6-7,9,15H,1-2,4-5,8H2
InChi Info:
AuxInfo=1/0/N:12,13,1,11,14,2,6,8,10,4,3,5,15,7,9/E:(1,2)(4,5)(6,7)(11,12)(13,14)/rA:15nCCCCCCClCNCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s12;s10s13;s3;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15Cl2N |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.43545 |
Area: | 412.587 |
Solvation: | -0.879232 |
Coulombic: | -11.6619 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 244.16 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.04 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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