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Chemical ID: 4427219
Chemical ID:
4427219
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3c4ccccc4C2C5C3C(=O)N(C5=O)N=Cc6ccc(o6)c7ccc(cc7)Cl
InChi [?]:
InChI=1/C29H19ClN2O3/c30-17-11-9-16(10-12-17)23-14-13-18(35-23)15-31-32-28(33)26-24-19-5-1-2-6-20(19)25(27(26)29(32)34)22-8-4-3-7-21(22)24/h1-15,24-27H
InChi Info:
AuxInfo=1/0/N:1,2,10,11,6,3,9,12,30,34,31,33,25,26,23,29,32,24,5,4,8,13,27,7,14,16,15,17,20,35,22,19,18,21,28/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(19,20,21,22)(24,25)(26,27)(28,29)(33,34)/rA:35cCCCCCCCCCCCCCCCCCONCONCCCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s4s13;s14;s7s15;s16;d17;s17;s15s19;d20;s19;w22;s23;d24;s25;d26;s24s27;s27;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H19ClN2O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.3528 |
Area: | 670.405 |
Solvation: | -4.40735 |
Coulombic: | -32.8544 |
Bond Count [?]
All: | 41 |
Single: | 27 |
Double: | 14 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 478.926 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.18 |
LogP (Chemaxon): | 5.74 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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