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Chemical ID: 6665160
Chemical ID:
6665160
Name [?]:
4-chloro-N-[[4-[(4-chlorophenyl)aminomethyl]phenyl]methyl]aniline
SMILES [?]:
c1cc(ccc1CNc2ccc(cc2)Cl)CNc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H18Cl2N2/c21-17-5-9-19(10-6-17)23-13-15-1-2-16(4-3-15)14-24-20-11-7-18(22)8-12-20/h1-12,23-24H,13-14H2
InChi Info:
AuxInfo=1/0/N:1,2,5,4,11,13,20,22,10,14,19,23,7,16,6,3,12,21,9,18,15,24,8,17/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)/rA:24nCCCCCCCNCCCCCCClCNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s3;s16;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18Cl2N2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1835 |
Area: | 601.538 |
Solvation: | -1.85498 |
Coulombic: | -27.6697 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.276 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 5.98 |
LogP (Chemaxon): | 5.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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