Chemical ID: 4578435

CCCCc1cc(=O)oc2c1cc3c(c2C)OCN(C3)Cc4cccc(c4)Cl
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

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