Chemical ID: 4582576

CCCc1cc(=O)oc2c1ccc3c2CN(CO3)Cc4ccc(cc4)Cl
Chemical ID:
4582576
Name [?]:
None
SMILES [?]:
CCCc1cc(=O)oc2c1ccc3c2CN(CO3)Cc4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H20ClNO3/c1-2-3-15-10-20(24)26-21-17(15)8-9-19-18(21)12-23(13-25-19)11-14-4-6-16(22)7-5-14/h4-10H,2-3,11-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,21,25,22,24,11,12,5,19,15,17,20,4,23,10,14,13,6,9,26,16,7,18,8/E:(4,5)(6,7)/rA:26cCCCCCCOOCCCCCCCNCOCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;s6;s8;s4s9;d10;s11;d12;d9s13;s14;s15;s16;s13s17;s16;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20ClNO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.7069
Area:578.453
Solvation:-3.75444
Coulombic:-33.3755
Bond Count [?]
All:29
Single:21
Double:8
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:369.841
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.09
LogP (Chemaxon):5.49

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue