Chemical ID: 5685293

c1ccc2c(c1)c3c([nH]2)C4CC5C(CCC(C5C(=O)[O-])O)C[NH+]4CC3
Chemical ID:
5685293
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C4CC5C(CCC(C5C(=O)[O-])O)C[NH+]4CC3
InChi [?]:
InChI=1/C20H24N2O3/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,15,25,24,11,22,13,5,7,12,4,10,16,17,8,18,9,23,21,19,20/E:(24,25)/rA:25cCCCCCCCCNCCCCCCCCCOO-OCN+CC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;s14;s15;s12s16;s17;d18;s18;s16;s13;s10s22;s23;s7s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24N2O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:6
ZAP Information [?]
Total:-31.3792
Area:497.701
Solvation:-43.8217
Coulombic:-26.1731
Bond Count [?]
All:29
Single:24
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:340.416
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.82
LogP (Chemaxon):-0.21

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Descriptor Annotations

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