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Chemical ID: 7372498
Chemical ID:
7372498
Name [?]:
N-[4-(amino-hydroxyimino-methyl)phenyl]cyclopropanecarboxamide
SMILES [?]:
c1cc(ccc1C(=NO)N)NC(=O)C2CC2
InChi [?]:
InChI=1/C11H13N3O2/c12-10(14-16)7-3-5-9(6-4-7)13-11(15)8-1-2-8/h3-6,8,16H,1-2H2,(H2,12,14)(H,13,15)
InChi Info:
AuxInfo=1/1/N:15,16,1,5,2,4,6,14,3,7,12,10,11,8,13,9/E:(1,2)(3,4)(5,6)/rA:16nCCCCCCCNONNCOCCC/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s7;s3;s11;d12;s12;s14;s14s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13N3O2 |
All Atoms: | 29 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.37264 |
Area: | 412.574 |
Solvation: | -2.94172 |
Coulombic: | -49.8574 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 219.24 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 0.93 |
LogP (Chemaxon): | 0.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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