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Chemical ID: 7659190
Chemical ID:
7659190
Name [?]:
None
SMILES [?]:
c1cc(ccc1OCC(=O)CC[NH+]2CCCCC2)Br
InChi [?]:
InChI=1/C15H20BrNO2/c16-13-4-6-15(7-5-13)19-12-14(18)8-11-17-9-2-1-3-10-17/h4-7H,1-3,8-12H2/p+1
InChi Info:
AuxInfo=1/1/N:16,15,17,2,4,1,5,11,14,18,12,8,3,9,6,19,13,10,7/E:(2,3)(4,5)(6,7)(9,10)/rA:19nCCCCCCOCCOCCN+CCCCCBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21BrNO2+ |
All Atoms: | 40 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -22.3105 |
Area: | 494.292 |
Solvation: | -34.6678 |
Coulombic: | 16.7624 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.93 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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