Chemical ID: 7216368

c1ccc2c(c1)c(c(s2)C(=O)NNC3=C4CC=CC4C3)Cl
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

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Descriptor Annotations

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