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Chemical ID: 5149829
Chemical ID:
5149829
Name [?]:
None
SMILES [?]:
CC1(CC(Nn2c3ccccc3c4c2c1ccc4)CO)CO
InChi [?]:
InChI=1/C18H20N2O2/c1-18(11-22)9-12(10-21)19-20-16-8-3-2-5-13(16)14-6-4-7-15(18)17(14)20/h2-8,12,19,21-22H,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,17,11,18,16,8,3,19,21,4,12,13,15,7,14,2,5,6,20,22/rA:22cCCCCNNCCCCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;s2d14;s15;d16;d13s17;s4;s19;s2;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.37347 |
Area: | 451.198 |
Solvation: | -3.90648 |
Coulombic: | -46.113 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 296.364 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 2.16 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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