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Chemical ID: 6477426
Chemical ID:
6477426
Name [?]:
1-allyl-3-[2-(1-naphthyloxy)acetyl]amino-thiourea
SMILES [?]:
C=CCNC(=S)NNC(=O)COc1cccc2c1cccc2
InChi [?]:
InChI=1/C16H17N3O2S/c1-2-10-17-16(22)19-18-15(20)11-21-14-9-5-7-12-6-3-4-8-13(12)14/h2-9H,1,10-11H2,(H,18,20)(H2,17,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,15,22,16,19,14,3,11,17,18,13,9,5,4,8,7,10,12,6/rA:22nCCCNCSNNCOCOCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s5;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17N3O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.26932 |
Area: | 551.416 |
Solvation: | -4.51608 |
Coulombic: | -49.3553 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 315.391 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 3.39 |
LogP (Chemaxon): | 2.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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