Chemical ID: 7701325

CC(C)C(=O)Nc1cc(ccc1Cl)C(=O)OC
Chemical ID:
7701325
Name [?]:
None
SMILES [?]:
CC(C)C(=O)Nc1cc(ccc1Cl)C(=O)OC
InChi [?]:
InChI=1/C12H14ClNO3/c1-7(2)11(15)14-10-6-8(12(16)17-3)4-5-9(10)13/h4-7H,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,17,10,11,8,2,9,12,7,4,14,13,6,5,15,16/E:(1,2)/rA:17nCCCCONCCCCCCClCOOC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s9;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14ClNO3
All Atoms:31
Heavy Atoms:17
Chiral Atoms:None
ZAP Information [?]
Total:8.63087
Area:444.417
Solvation:-2.47956
Coulombic:-40.5658
Bond Count [?]
All:17
Single:12
Double:5
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.38
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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