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Chemical ID: 7579821
Chemical ID:
7579821
Name [?]:
None
SMILES [?]:
COc1cc2c3c(c1OC)-c4ccccc4CC3NCC2
InChi [?]:
InChI=1/C18H19NO2/c1-20-15-10-12-7-8-19-14-9-11-5-3-4-6-13(11)17(16(12)14)18(15)21-2/h3-6,10,14,19H,7-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,14,13,15,12,21,20,17,4,16,5,11,18,3,6,7,8,19,2,9/rA:21cCOCCCCCCOCCCCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;d12;s13;d14;d11s15;s16;s6s17;s18;s19;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO2 |
All Atoms: | 40 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.26933 |
Area: | 434.9 |
Solvation: | -3.60317 |
Coulombic: | -25.2757 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.83 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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