Chemical ID: 4430323

c1ccc2c(c1)NC=C3C(=NC(=O)S3)N2
Chemical ID:
4430323
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)NC=C3C(=NC(=O)S3)N2
InChi [?]:
InChI=1/C10H7N3OS/c14-10-13-9-8(15-10)5-11-6-3-1-2-4-7(6)12-9/h1-5,11H,(H,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,5,4,9,10,12,7,15,11,13,14/rA:15nCCCCCCNCCCNCOSN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s11;d12;s9s12;s4s10;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7N3OS
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.41915
Area:361.838
Solvation:-1.62679
Coulombic:-39.8162
Bond Count [?]
All:17
Single:11
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:217.248
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.68
LogP (Chemaxon):1.67

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Descriptor Annotations

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