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Chemical ID: 4188598
Chemical ID:
4188598
Name [?]:
None
SMILES [?]:
CC1Cc2c3cc(ccc3[nH]c2C(=O)N1)OC
InChi [?]:
InChI=1/C13H14N2O2/c1-7-5-10-9-6-8(17-2)3-4-11(9)15-12(10)13(16)14-7/h3-4,6-7,15H,5H2,1-2H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,17,8,9,3,6,2,7,5,4,10,12,13,15,11,14,16/rA:17cCCCCCCCCCCNCCONOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d4s11;s12;d13;s2s13;s7;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.6625 |
Area: | 393.903 |
Solvation: | -3.18508 |
Coulombic: | -40.3765 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 230.263 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.73 |
LogP (Chemaxon): | 1.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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