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Chemical ID: 7216368
Chemical ID:
7216368
Name [?]:
N'-(7-bicyclo[3.2.0]hepta-3,7-dienyl)-3-chloro-benzothiophene-2-carbohydrazide
SMILES [?]:
c1ccc2c(c1)c(c(s2)C(=O)NNC3=C4CC=CC4C3)Cl
InChi [?]:
InChI=1/C16H13ClN2OS/c17-14-11-5-1-2-7-13(11)21-15(14)16(20)19-18-12-8-9-4-3-6-10(9)12/h1-5,7,9,18H,6,8H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,17,18,6,16,3,20,19,15,5,14,4,7,8,10,21,13,12,11,9/rA:21cCCCCCCCCSCONNCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;d10;s10;s12;s13;d14;s15;s16;d17;s15s18;s14s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13ClN2OS |
All Atoms: | 34 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4634 |
Area: | 503.594 |
Solvation: | -2.12648 |
Coulombic: | -29.3105 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 316.806 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.42 |
LogP (Chemaxon): | 2.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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