Chemical ID: 7096547

COc1ccccc1CN2c3ccccc3C4(C2=O)OCCCO4
Chemical ID:
7096547
Name [?]:
None
SMILES [?]:
COc1ccccc1CN2c3ccccc3C4(C2=O)OCCCO4
InChi [?]:
InChI=1/C19H19NO4/c1-22-17-10-5-2-7-14(17)13-20-16-9-4-3-8-15(16)19(18(20)21)23-11-6-12-24-19/h2-5,7-10H,6,11-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,14,13,5,22,7,15,12,4,21,23,9,8,16,11,3,18,17,10,19,2,20,24/E:(11,12)(23,24)/rA:24nCOCCCCCCCNCCCCCCCCOOCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s10s17;d18;s17;s20;s21;s22;s17s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19NO4
All Atoms:43
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.65109
Area:475.321
Solvation:-4.23194
Coulombic:-47.4706
Bond Count [?]
All:27
Single:20
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:325.358
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.26
LogP (Chemaxon):2.99

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Descriptor Annotations

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