Chemical ID: 7105821

c1cc(c(c(c1)Cl)CNC2CCCCCC2)Cl
Chemical ID:
7105821
Name [?]:
N-[(2,6-dichlorophenyl)methyl]cycloheptanamine
SMILES [?]:
c1cc(c(c(c1)Cl)CNC2CCCCCC2)Cl
InChi [?]:
InChI=1/C14H19Cl2N/c15-13-8-5-9-14(16)12(13)10-17-11-6-3-1-2-4-7-11/h5,8-9,11,17H,1-4,6-7,10H2
InChi Info:
AuxInfo=1/0/N:13,14,12,15,1,11,16,2,6,8,10,4,3,5,17,7,9/E:(1,2)(3,4)(6,7)(8,9)(13,14)(15,16)/rA:17nCCCCCCClCNCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s12;s13;s14;s10s15;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19Cl2N
All Atoms:36
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:10.247
Area:444.398
Solvation:-0.862961
Coulombic:-12.2904
Bond Count [?]
All:18
Single:15
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:272.213
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.18
LogP (Chemaxon):4.59

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Descriptor Annotations

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