Chemical ID: 3966353

CN1CCC23c4c5ccc(c4OC2C(CCC3C1C5)O)OC
Chemical ID:
3966353
Name [?]:
None
SMILES [?]:
CN1CCC23c4c5ccc(c4OC2C(CCC3C1C5)O)OC
InChi [?]:
InChI=1/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,8,16,15,9,4,3,19,7,17,18,14,10,6,11,13,5,2,20,21,12/rA:22cCNCCCCCCCCCOCCCCCCCOOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;s13;s14;s15;s5s16;s2s17;s7s18;s14;s10;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:6
ZAP Information [?]
Total:21.7121
Area:0.0
Solvation:21.7121
Coulombic:0.0
Bond Count [?]
All:26
Single:23
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:301.38
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.33
LogP (Chemaxon):1.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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