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Chemical ID: 5187020
Chemical ID:
5187020
Name [?]:
None
SMILES [?]:
Cc1c2c(c(cn1)CO)C=C3CCCC=C3O2
InChi [?]:
InChI=1/C14H15NO2/c1-9-14-12(11(8-16)7-15-9)6-10-4-2-3-5-13(10)17-14/h5-7,16H,2-4,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,10,6,8,2,11,5,4,16,3,7,9,17/rA:17nCCCCCCNCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s4;d10;s11;s12;s13;s14;s11d15;s3s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.02506 |
Area: | 393.524 |
Solvation: | -2.81304 |
Coulombic: | -29.7141 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 229.274 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.32 |
LogP (Chemaxon): | 1.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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