Chemical ID: 5025706

c1cc(ccc1CNCCCCCCCCNCc2ccc(cc2)Cl)Cl
Chemical ID:
5025706
Name [?]:
N,N'-bis[(4-chlorophenyl)methyl]octane-1,8-diamine
SMILES [?]:
c1cc(ccc1CNCCCCCCCCNCc2ccc(cc2)Cl)Cl
InChi [?]:
InChI=1/C22H30Cl2N2/c23-21-11-7-19(8-12-21)17-25-15-5-3-1-2-4-6-16-26-18-20-9-13-22(24)14-10-20/h7-14,25-26H,1-6,15-18H2
InChi Info:
AuxInfo=1/0/N:12,13,11,14,10,15,1,5,20,24,2,4,21,23,9,16,7,18,6,19,3,22,26,25,8,17/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)/rA:26nCCCCCCCNCCCCCCCCNCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;d19s23;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H30Cl2N2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:15.8393
Area:711.249
Solvation:-1.94192
Coulombic:-22.8161
Bond Count [?]
All:27
Single:21
Double:6
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:393.392
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:6.67
LogP (Chemaxon):6.09

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Descriptor Annotations

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