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Chemical ID: 4273077
Chemical ID:
4273077
Name [?]:
(5-bromo-2-oxo-indolin-3-ylidene)aminourea
SMILES [?]:
c1cc2c(cc1Br)C(=NNC(=O)N)C(=O)N2
InChi [?]:
InChI=1/C9H7BrN4O2/c10-4-1-2-6-5(3-4)7(8(15)12-6)13-14-9(11)16/h1-3H,(H3,11,14,16)(H,12,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,3,8,14,11,7,13,16,9,10,15,12/rA:16nCCCCCCBrCNNCONCON/rB:s1;d2;s3;d4;d1s5;s6;s4;w8;s9;s10;d11;s11;s8;d14;s3s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H7BrN4O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.41257 |
Area: | 402.073 |
Solvation: | -2.63925 |
Coulombic: | -59.109 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 283.082 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 1.06 |
LogP (Chemaxon): | 1.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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