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Chemical ID: 7434531
Chemical ID:
7434531
Name [?]:
1-(2-pyridylmethyl)-1,4-diazepane
SMILES [?]:
c1ccnc(c1)CN2CCCNCC2
InChi [?]:
InChI=1/C11H17N3/c1-2-6-13-11(4-1)10-14-8-3-5-12-7-9-14/h1-2,4,6,12H,3,5,7-10H2
InChi Info:
AuxInfo=1/0/N:1,2,10,6,11,3,13,9,14,7,5,12,4,8/rA:14cCCCNCCCNCCCNCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s8s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N3 |
All Atoms: | 31 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.16446 |
Area: | 363.464 |
Solvation: | -1.92213 |
Coulombic: | -18.5956 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 191.273 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.37 |
LogP (Chemaxon): | 0.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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