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Chemical ID: 4791626
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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