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Chemical ID: 4578435
Chemical ID:
4578435
Name [?]:
None
SMILES [?]:
CCCCc1cc(=O)oc2c1cc3c(c2C)OCN(C3)Cc4cccc(c4)Cl
InChi [?]:
InChI=1/C23H24ClNO3/c1-3-4-7-17-11-21(26)28-23-15(2)22-18(10-20(17)23)13-25(14-27-22)12-16-6-5-8-19(24)9-16/h5-6,8-11H,3-4,7,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,3,24,23,4,25,27,12,6,21,20,18,15,22,5,13,26,11,7,14,10,28,19,8,17,9/rA:28cCCCCCCCOOCCCCCCCOCNCCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s5s10;d11;s12;d13;d10s14;s15;s14;s17;s18;s13s19;s19;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24ClNO3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.499 |
Area: | 622.161 |
Solvation: | -4.055 |
Coulombic: | -33.166 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 397.894 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.88 |
LogP (Chemaxon): | 6.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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