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Chemical ID: 4805756
Chemical ID:
4805756
Name [?]:
None
SMILES [?]:
CCCN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3Cc6ccccc6Cl
InChi [?]:
InChI=1/C28H21ClN2O4/c1-2-15-30-21-13-7-5-11-19(21)28(27(30)34)23-24(32)18-10-4-8-14-22(18)35-25(23)26(33)31(28)16-17-9-3-6-12-20(17)29/h3-14H,2,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,31,19,8,32,7,20,30,18,9,33,6,21,3,28,29,17,10,34,5,22,14,15,24,25,12,11,35,4,27,16,26,13,23/rA:35cCCCNCCCCCCCCOCCOCCCCCCOCCONCCCCCCCCl/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H21ClN2O4 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.6674 |
Area: | 622.114 |
Solvation: | -3.8855 |
Coulombic: | -54.3431 |
Bond Count [?]
All: | 40 |
Single: | 27 |
Double: | 13 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 484.93 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.65 |
LogP (Chemaxon): | 4.57 |
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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