Chemical ID: 6717956

Cc1ccc2c(c1)c3c4n2CC[NH+](C4CCC3)CC(C[NH2+]C(C)C)O
Chemical ID:
6717956
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c3c4n2CC[NH+](C4CCC3)CC(C[NH2+]C(C)C)O
InChi [?]:
InChI=1/C21H31N3O/c1-14(2)22-12-16(25)13-23-9-10-24-19-8-7-15(3)11-18(19)17-5-4-6-20(23)21(17)24/h7-8,11,14,16,20,22,25H,4-6,9-10,12-13H2,1-3H3/p+2
InChi Info:
AuxInfo=1/1/N:23,24,1,16,17,15,3,4,12,11,7,20,18,22,2,19,8,6,5,14,9,21,13,10,25/E:(1,2)/rA:25cCCCCCCCCCNCCN+CCCCCCCN+CCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s10;s11;s12;s9s13;s14;s15;s8s16;s13;s18;s19;s20;s21;s22;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H33N3O+2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:3
ZAP Information [?]
Total:-80.843
Area:559.895
Solvation:-94.8404
Coulombic:75.9764
Bond Count [?]
All:28
Single:24
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:343.506
H-Bond Donors:4
H-Bond Acceptors:3
XLogP:2.87
LogP (Chemaxon):3.48

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Descriptor Annotations

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