Chemical ID: 7570681

CCC[NH+]1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O
Chemical ID:
7570681
Name [?]:
None
SMILES [?]:
CCC[NH+]1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O
InChi [?]:
InChI=1/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,9,8,10,20,19,6,3,5,14,7,15,11,13,18,12,16,17,4,21,22/rA:22cCCCN+CCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s11s15;d16;s17;d18;d15s19;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22NO2+
All Atoms:44
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:-20.8151
Area:462.769
Solvation:-32.3843
Coulombic:-3.2019
Bond Count [?]
All:25
Single:19
Double:6
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.91
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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