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Chemical ID: 5832396
Chemical ID:
5832396
Name [?]:
N-[(2-chlorophenyl)methyl]cyclopentanamine
SMILES [?]:
c1ccc(c(c1)CNC2CCCC2)Cl
InChi [?]:
InChI=1/C12H16ClN/c13-12-8-4-1-5-10(12)9-14-11-6-2-3-7-11/h1,4-5,8,11,14H,2-3,6-7,9H2
InChi Info:
AuxInfo=1/0/N:1,11,12,2,6,10,13,3,7,5,9,4,14,8/E:(2,3)(6,7)/rA:14nCCCCCCCNCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s9s12;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16ClN |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.76196 |
Area: | 385.575 |
Solvation: | -0.877417 |
Coulombic: | -11.645 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 209.715 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.41 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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