Chemical ID: 6940973

COc1ccc(c(c1)C[NH3+])OC
Chemical ID:
6940973
Name [?]:
(2,5-dimethoxyphenyl)methylammonium
SMILES [?]:
COc1ccc(c(c1)C[NH3+])OC
InChi [?]:
InChI=1/C9H13NO2/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5H,6,10H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,12,4,5,8,9,7,3,6,10,2,11/rA:12nCOCCCCCCCN+OC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H14NO2+
All Atoms:26
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-30.8023
Area:333.286
Solvation:-39.1344
Coulombic:25.7626
Bond Count [?]
All:12
Single:9
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:168.213
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.97
LogP (Chemaxon):0.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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