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Chemical ID: 3963715
Chemical ID:
3963715
Name [?]:
1-(5-chloro-2-methoxy-phenyl)piperazine
SMILES [?]:
COc1ccc(cc1N2CCNCC2)Cl
InChi [?]:
InChI=1/C11H15ClN2O/c1-15-11-3-2-9(12)8-10(11)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,11,13,10,14,7,6,8,3,15,12,9,2/E:(4,5)(6,7)/rA:15nCOCCCCCCNCCNCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s9s13;s6;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15ClN2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.56284 |
Area: | 393.436 |
Solvation: | -3.27307 |
Coulombic: | -22.2724 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 226.702 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.17 |
LogP (Chemaxon): | 2.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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