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Chemical ID: 4761205
Chemical ID:
4761205
Name [?]:
amino-[3-[(4-chlorophenoxy)methyl]phenyl]-methanone oxime
SMILES [?]:
c1cc(cc(c1)C(=NO)N)COc2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H13ClN2O2/c15-12-4-6-13(7-5-12)19-9-10-2-1-3-11(8-10)14(16)17-18/h1-8,18H,9H2,(H2,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,17,14,18,4,11,3,5,16,13,7,19,10,8,9,12/E:(4,5)(6,7)/rA:19nCCCCCCCNONCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s7;s3;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13ClN2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.52414 |
Area: | 474.796 |
Solvation: | -3.34575 |
Coulombic: | -39.8219 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 276.718 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 3.72 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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