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Chemical ID: 7511760
Chemical ID:
7511760
Name [?]:
1-[(3-chloro-4-methoxy-phenyl)methyl]-4-phenyl-piperazine
SMILES [?]:
COc1ccc(cc1Cl)CN2CCN(CC2)c3ccccc3
InChi [?]:
InChI=1/C18H21ClN2O/c1-22-18-8-7-15(13-17(18)19)14-20-9-11-21(12-10-20)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,18,22,5,4,12,16,13,15,7,10,6,17,8,3,9,11,14,2/E:(3,4)(5,6)(9,10)(11,12)/rA:22nCOCCCCCCClCNCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21ClN2O |
All Atoms: | 43 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.52649 |
Area: | 519.346 |
Solvation: | -3.45717 |
Coulombic: | -20.7412 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.12 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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