Chemical ID: 6849270

CCCC[NH+](CCCC)Cc1c(ccc2c1oc(=O)c3c2CCC3)O
Chemical ID:
6849270
Name [?]:
None
SMILES [?]:
CCCC[NH+](CCCC)Cc1c(ccc2c1oc(=O)c3c2CCC3)O
InChi [?]:
InChI=1/C21H29NO3/c1-3-5-12-22(13-6-4-2)14-18-19(23)11-10-16-15-8-7-9-17(15)21(24)25-20(16)18/h10-11,23H,3-9,12-14H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,9,2,8,3,7,23,22,24,14,13,4,6,10,21,15,20,11,12,16,18,5,25,19,17/E:(1,2)(3,4)(5,6)(12,13)/rA:25nCCCCN+CCCCCCCCCCCOCOCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;d12;s13;d14;d11s15;s16;s17;d18;s18;s15d20;s21;s22;s20s23;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30NO3+
All Atoms:55
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-15.151
Area:561.769
Solvation:-29.1952
Coulombic:-8.5164
Bond Count [?]
All:27
Single:22
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:344.468
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.34
LogP (Chemaxon):4.35

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Descriptor Annotations

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