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Chemical ID: 3966353
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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