Chemical ID: 6708866

COc1ccc2c(c1)c3c([nH]2)C[NH2+]CC3
Chemical ID:
6708866
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1)c3c([nH]2)C[NH2+]CC3
InChi [?]:
InChI=1/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,4,5,15,14,8,12,3,9,7,6,10,13,11,2/rA:15nCOCCCCCCCCNCN+CC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;s12;s13;s9s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15N2O+
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-27.6466
Area:363.207
Solvation:-36.7267
Coulombic:19.0145
Bond Count [?]
All:17
Single:13
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:203.26
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.38
LogP (Chemaxon):1.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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