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Chemical ID: 7105400
Chemical ID:
7105400
Name [?]:
N-[(2-chlorophenyl)methyl]cycloheptanamine
SMILES [?]:
c1ccc(c(c1)CNC2CCCCCC2)Cl
InChi [?]:
InChI=1/C14H20ClN/c15-14-10-6-5-7-12(14)11-16-13-8-3-1-2-4-9-13/h5-7,10,13,16H,1-4,8-9,11H2
InChi Info:
AuxInfo=1/0/N:12,13,11,14,1,2,6,10,15,3,7,5,9,4,16,8/E:(1,2)(3,4)(8,9)/rA:16nCCCCCCCNCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;s9s14;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20ClN |
All Atoms: | 36 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.5772 |
Area: | 417.604 |
Solvation: | -0.862898 |
Coulombic: | -12.2754 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 237.768 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.55 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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