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Chemical ID: 6407112
Chemical ID:
6407112
Name [?]:
1-(2,4-dichlorophenyl)piperazine
SMILES [?]:
c1cc(c(cc1Cl)Cl)N2CCNCC2
InChi [?]:
InChI=1/C10H12Cl2N2/c11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChi Info:
AuxInfo=1/0/N:1,2,11,13,10,14,5,6,4,3,7,8,12,9/E:(3,4)(5,6)/rA:14nCCCCCCClClNCCNCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12Cl2N2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.27915 |
Area: | 388.544 |
Solvation: | -1.43446 |
Coulombic: | -16.4134 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 231.121 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.88 |
LogP (Chemaxon): | 2.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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