Chemical ID: 7570677

CC[NH+]1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O
Chemical ID:
7570677
Name [?]:
None
SMILES [?]:
CC[NH+]1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O
InChi [?]:
InChI=1/C18H19NO2/c1-2-19-9-8-11-4-3-5-13-16(11)14(19)10-12-6-7-15(20)18(21)17(12)13/h3-7,14,20-21H,2,8-10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,8,7,9,19,18,5,4,13,6,14,10,12,17,11,15,16,3,20,21/rA:21cCCN+CCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s3s11;s12;s13;s10s14;d15;s16;d17;d14s18;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20NO2+
All Atoms:41
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:-21.6533
Area:434.384
Solvation:-32.5129
Coulombic:-2.77313
Bond Count [?]
All:24
Single:18
Double:6
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.55
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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