Chemical ID: 4801837

CCCN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3Cc6ccccc6Cl)F
Chemical ID:
4801837
Name [?]:
None
SMILES [?]:
CCCN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3Cc6ccccc6Cl)F
InChi [?]:
InChI=1/C28H20ClFN2O4/c1-2-13-31-21-10-6-4-8-19(21)28(27(31)35)23-24(33)18-14-17(30)11-12-22(18)36-25(23)26(34)32(28)15-16-7-3-5-9-20(16)29/h3-12,14H,2,13,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,31,8,32,7,30,9,33,6,20,21,3,18,28,29,19,17,10,34,5,22,14,15,24,25,12,11,35,36,4,27,16,26,13,23/rA:36cCCCNCCCCCCCCOCCOCCCCCCOCCONCCCCCCCClF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;d12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s11s25;s27;s28;s29;d30;s31;d32;d29s33;s34;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H20ClFN2O4
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:10.9111
Area:630.793
Solvation:-4.85872
Coulombic:-56.3075
Bond Count [?]
All:41
Single:28
Double:13
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:502.921
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.81
LogP (Chemaxon):4.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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