Chemical ID: 4920404

CC12CCC(=O)N1c3ccccc3N2
Chemical ID:
4920404
Name [?]:
None
SMILES [?]:
CC12CCC(=O)N1c3ccccc3N2
InChi [?]:
InChI=1/C11H12N2O/c1-11-7-6-10(14)13(11)9-5-3-2-4-8(9)12-11/h2-5,12H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,4,3,13,8,5,2,14,7,6/rA:14cCCCCCONCCCCCCN/rB:s1;s2;s3;s4;d5;s2s5;s7;s8;d9;s10;d11;d8s12;s2s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N2O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.26413
Area:338.051
Solvation:-2.18715
Coulombic:-26.5642
Bond Count [?]
All:16
Single:12
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:188.226
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.42
LogP (Chemaxon):1.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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