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Chemical ID: 4590680
Chemical ID:
4590680
Name [?]:
4-(2,4-dichlorophenoxy)-N-(2-oxoindolin-3-ylidene)amino-butanamide
SMILES [?]:
c1ccc2c(c1)C(=NNC(=O)CCCOc3ccc(cc3Cl)Cl)C(=O)N2
InChi [?]:
InChI=1/C18H15Cl2N3O3/c19-11-7-8-15(13(20)10-11)26-9-3-6-16(24)22-23-17-12-4-1-2-5-14(12)21-18(17)25/h1-2,4-5,7-8,10H,3,6,9H2,(H,22,24)(H,21,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,13,6,3,12,18,17,14,20,19,5,21,4,16,10,7,24,23,22,26,9,8,11,25,15/rA:26nCCCCCCCNNCOCCCOCCCCCCClClCON/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;s19;s7;d24;s4s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15Cl2N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.36501 |
Area: | 625.275 |
Solvation: | -6.26688 |
Coulombic: | -47.2319 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 392.236 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.3 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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