Chemical ID: 7659190

c1cc(ccc1OCC(=O)CC[NH+]2CCCCC2)Br
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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