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Chemical ID: 4811425
Chemical ID:
4811425
Name [?]:
None
SMILES [?]:
CCN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3Cc6ccccc6Cl)F
InChi [?]:
InChI=1/C27H18ClFN2O4/c1-2-30-20-10-6-4-8-18(20)27(26(30)34)22-23(32)17-13-16(29)11-12-21(17)35-24(22)25(33)31(27)14-15-7-3-5-9-19(15)28/h3-13H,2,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,30,7,31,6,29,8,32,5,19,20,17,27,28,18,16,9,33,4,21,13,14,23,24,11,10,34,35,3,26,15,25,12,22/rA:35cCCNCCCCCCCCOCCOCCCCCCOCCONCCCCCCCClF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;d11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s10s24;s26;s27;s28;d29;s30;d31;d28s32;s33;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H18ClFN2O4 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.2122 |
Area: | 603.533 |
Solvation: | -4.87615 |
Coulombic: | -55.8993 |
Bond Count [?]
All: | 40 |
Single: | 27 |
Double: | 13 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 488.894 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.45 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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