Chemical ID: 7105403

c1cc(c(cc1CNC2CCCCCC2)Cl)Cl
Chemical ID:
7105403
Name [?]:
N-[(3,4-dichlorophenyl)methyl]cycloheptanamine
SMILES [?]:
c1cc(c(cc1CNC2CCCCCC2)Cl)Cl
InChi [?]:
InChI=1/C14H19Cl2N/c15-13-8-7-11(9-14(13)16)10-17-12-5-3-1-2-4-6-12/h7-9,12,17H,1-6,10H2
InChi Info:
AuxInfo=1/0/N:12,13,11,14,10,15,1,2,5,7,6,9,3,4,17,16,8/E:(1,2)(3,4)(5,6)/rA:17nCCCCCCCNCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s9s14;s4;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19Cl2N
All Atoms:36
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:10.5992
Area:462.696
Solvation:-0.968203
Coulombic:-12.1811
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

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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