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Chemical ID: 7668810
Chemical ID:
7668810
Name [?]:
None
SMILES [?]:
Cc1cc(cc(c1Cl)C)OCc2ccc(cc2)C(=O)NN
InChi [?]:
InChI=1/C16H17ClN2O2/c1-10-7-14(8-11(2)15(10)17)21-9-12-3-5-13(6-4-12)16(20)19-18/h3-8H,9,18H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,9,13,17,14,16,3,5,11,2,6,12,15,4,7,18,8,21,20,19,10/E:(1,2)(3,4)(5,6)(7,8)(10,11)/rA:21nCCCCCCCClCOCCCCCCCCONN/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17ClN2O2 |
All Atoms: | 38 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.13398 |
Area: | 515.945 |
Solvation: | -3.76464 |
Coulombic: | -37.2684 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.13 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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