Chemical ID: 4512574

c1cc2c(cc1Br)c3c([nH]2)C(=O)NCC3
Chemical ID:
4512574
Name [?]:
None
SMILES [?]:
c1cc2c(cc1Br)c3c([nH]2)C(=O)NCC3
InChi [?]:
InChI=1/C11H9BrN2O/c12-6-1-2-9-8(5-6)7-3-4-13-11(15)10(7)14-9/h1-2,5,14H,3-4H2,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,15,14,5,6,8,4,3,9,11,7,13,10,12/rA:15nCCCCCCBrCCNCONCC/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s3s9;s9;d11;s11;s13;s8s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9BrN2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.41901
Area:368.922
Solvation:-1.80405
Coulombic:-33.8211
Bond Count [?]
All:17
Single:12
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:265.106
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.16
LogP (Chemaxon):1.88

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue