Chemical ID: 4578830

C[N+]1(CCC23C=CC(CC2Oc4c3c(ccc4OC)C1)O)C
Chemical ID:
4578830
Name [?]:
None
SMILES [?]:
C[N+]1(CCC23C=CC(CC2Oc4c3c(ccc4OC)C1)O)C
InChi [?]:
InChI=1/C18H24NO3/c1-19(2)9-8-18-7-6-13(20)10-15(18)22-17-14(21-3)5-4-12(11-19)16(17)18/h4-7,13,15,20H,8-11H2,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,22,19,15,16,7,6,4,3,9,20,14,8,17,10,13,12,5,2,21,18,11/E:(1,2)/CRV:19+1/rA:22cCN+CCCCCCCCOCCCCCCOCCOC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s5s9;s10;s11;s5s12;d13;s14;d15;d12s16;s17;s18;s2s14;s8;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24NO3+
All Atoms:22
Heavy Atoms:22
Chiral Atoms:3
ZAP Information [?]
Total:-24.155
Area:449.236
Solvation:-35.3859
Coulombic:-3.21431
Bond Count [?]
All:25
Single:21
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:302.388
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.57
LogP (Chemaxon):-3.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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