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Chemical ID: 7709619
Chemical ID:
7709619
Name [?]:
None
SMILES [?]:
CC1CCN(CC1)CC(COCCOc2ccc(cc2)Cl)O
InChi [?]:
InChI=1/C17H26ClNO3/c1-14-6-8-19(9-7-14)12-16(20)13-21-10-11-22-17-4-2-15(18)3-5-17/h2-5,14,16,20H,6-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,19,16,20,3,7,4,6,12,13,8,10,2,18,9,15,21,5,22,11,14/E:(2,3)(4,5)(6,7)(8,9)/rA:22cCCCCNCCCCCOCCOCCCCCCClO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26ClNO3 |
All Atoms: | 48 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.51403 |
Area: | 568.974 |
Solvation: | -6.71031 |
Coulombic: | -36.5726 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.92 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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