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Chemical ID: 4259055
Chemical ID:
4259055
Name [?]:
None
SMILES [?]:
Cc1nc2c(o1)CCc3ccccc3C2O
InChi [?]:
InChI=1/C13H13NO2/c1-8-14-12-11(16-8)7-6-9-4-2-3-5-10(9)13(12)15/h2-5,13,15H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,10,13,8,7,2,9,14,5,4,15,3,16,6/rA:16cCCNCCOCCCCCCCCCO/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s4s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.00818 |
Area: | 372.911 |
Solvation: | -2.31459 |
Coulombic: | -30.7913 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 215.248 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.09 |
LogP (Chemaxon): | 1.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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