Chemical ID: 4791626

c1cc(cc(c1)Cl)N2CCN(CC2)Cc3cc(=O)oc4c3cc5c(c4)CCC5
Chemical ID:
4791626
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Cl)N2CCN(CC2)Cc3cc(=O)oc4c3cc5c(c4)CCC5
InChi [?]:
InChI=1/C23H23ClN2O2/c24-19-5-2-6-20(14-19)26-9-7-25(8-10-26)15-18-13-23(27)28-22-12-17-4-1-3-16(17)11-21(18)22/h2,5-6,11-14H,1,3-4,7-10,15H2
InChi Info:
AuxInfo=1/0/N:27,1,28,26,6,2,10,12,9,13,22,25,16,4,14,23,24,15,5,3,21,20,17,7,11,8,18,19/E:(7,8)(9,10)/rA:28nCCCCCCClNCCNCCCCCCOOCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s8s12;s11;s14;d15;s16;d17;s17;s19;s15s20;d21;s22;d23;d20s24;s24;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23ClN2O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.7481
Area:598.933
Solvation:-3.22522
Coulombic:-31.3102
Bond Count [?]
All:32
Single:24
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:394.894
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.77
LogP (Chemaxon):5.3

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Descriptor Annotations

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