Chemical ID: 6912973

CN(C)c1ccc(cc1)c2ccc(cc2)C(=O)OC
Chemical ID:
6912973
Name [?]:
methyl 4-(4-dimethylaminophenyl)benzoate
SMILES [?]:
CN(C)c1ccc(cc1)c2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C16H17NO2/c1-17(2)15-10-8-13(9-11-15)12-4-6-14(7-5-12)16(18)19-3/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,19,11,15,12,14,6,8,5,9,10,7,13,4,16,2,17,18/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:19nCNCCCCCCCCCCCCCCOOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;d10s14;s13;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO2
All Atoms:36
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.32483
Area:467.185
Solvation:-2.3548
Coulombic:-28.0219
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:255.312
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.11
LogP (Chemaxon):3.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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