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Chemical ID: 7701142
Chemical ID:
7701142
Name [?]:
None
SMILES [?]:
CC(C(C)(C)C)NCc1cc(c(c(c1)Cl)OCC(=O)N)OC
InChi [?]:
InChI=1/C16H25ClN2O3/c1-10(16(2,3)4)19-8-11-6-12(17)15(13(7-11)21-5)22-9-14(18)20/h6-7,10,19H,8-9H2,1-5H3,(H2,18,20)
InChi Info:
AuxInfo=1/1/N:1,4,5,6,22,14,10,8,17,2,9,13,11,18,12,3,15,20,7,19,21,16/E:(2,3,4)/rA:22cCCCCCCNCCCCCCCClOCCONOC/rB:s1;s2;s3;s3;s3;s2;s7;s8;s9;d10;s11;d12;d9s13;s13;s12;s16;s17;d18;s18;s11;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25ClN2O3 |
All Atoms: | 47 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.25638 |
Area: | 553.337 |
Solvation: | -5.57704 |
Coulombic: | -49.5546 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.3 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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