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Chemical ID: 7104897
Chemical ID:
7104897
Name [?]:
N-[(3-chlorophenyl)methyl]pentan-1-amine
SMILES [?]:
CCCCCNCc1cccc(c1)Cl
InChi [?]:
InChI=1/C12H18ClN/c1-2-3-4-8-14-10-11-6-5-7-12(13)9-11/h5-7,9,14H,2-4,8,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,10,9,11,5,13,7,8,12,14,6/rA:14nCCCCCNCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18ClN |
All Atoms: | 32 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.83238 |
Area: | 432.206 |
Solvation: | -0.972763 |
Coulombic: | -11.9392 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 211.731 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.08 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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